CHEBI:77817 - ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate

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ChEBI Name ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate ChEBI ID CHEBI:77817 Definition An amino acid ester that is the ethyl ester of cyclohex-3-ene-1-carboxylic acid in which the cyclohexane ring is substituted at positions 1 and 2 by phenyl and dimethylamino groups, respectively. It has four possible diastereoisomers; the opioid analgesic drug tilidine is a racemate comprising the two trans diastereoisomers. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H23NO2 Net Charge 0 Average Mass 273.37000 Monoisotopic Mass 273.17288 InChI InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3 InChIKey WDEFBBTXULIOBB-UHFFFAOYSA-N SMILES CCOC(=O)C1(CCC=CC1N(C)C)c1ccccc1 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77817) has functional parent ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77835) ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77817) is a amino-acid ester (CHEBI:46668) ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77817) is a ethyl ester (CHEBI:23990) ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77817) is a tertiary amino compound (CHEBI:50996) Incoming ent-dextilidine (CHEBI:77821) is a ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77817) dextilidine (CHEBI:77822) is a ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77817) IUPAC Name ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate Registry Number Type Source 17243-69-5 CAS Registry Number ChemIDplus Last Modified 02 March 2015