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CHEBI:77835 - ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate

ChEBI IDCHEBI:77835
ChEBI Nameethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate
Stars
DefinitionAn 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 methylamino groups, respectively.
Last Modified2 April 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H21NO2
Net Charge0
Average Mass259.349
Monoisotopic Mass259.15723
SMILESCCOC(=O)C1(c2ccccc2)CCC=CC1NC
InChIInChI=1S/C16H21NO2/c1-3-19-15(18)16(13-9-5-4-6-10-13)12-8-7-11-14(16)17-2/h4-7,9-11,14,17H,3,8,12H2,1-2H3
InChIKeyPDJZPNKVLDWEKI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77835) is a ethyl ester (CHEBI:23990)
ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77835) is a secondary amino compound (CHEBI:50995)
ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77835) is a β-amino acid ester (CHEBI:85139)
Incoming Relation(s)
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)
(1R,2S)-nortilidine (CHEBI:77841) is a ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77835)
(1S,2R)-nortilidine (CHEBI:77839) is a ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77835)
IUPAC Name 
ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate