CHEBI:115602 - 4-morpholinecarboxylic acid [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-2,6-dimethoxyphenyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-morpholinecarboxylic acid [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-2,6-dimethoxyphenyl] ester
ChEBI ID CHEBI:115602
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H25N3O7
Net Charge 0
Average Mass 455.461
Monoisotopic Mass 455.16925
InChI InChI=1S/C23H25N3O7/c1-29-17-10-13(11-18(30-2)21(17)33-23(28)26-6-8-31-9-7-26)19-14(12-24)22(25)32-16-5-3-4-15(27)20(16)19/h10-11,19H,3-9,25H2,1-2H3
InChIKey WIKGFSQXRKPATH-UHFFFAOYSA-N
SMILES COC1=CC(=CC(=C1OC(=O)N2CCOCC2)OC)C3C(=C(OC4=C3C(=O)CCC4)N)C#N
ChEBI Ontology
Outgoing 4-morpholinecarboxylic acid [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-2,6-dimethoxyphenyl] ester (CHEBI:115602) is a dimethoxybenzene (CHEBI:51681)
Manual Xref Database
LSM-27059 LINCS
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