phenethyl 4-(3-ethoxyphenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 4-(3-ethoxyphenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(3-ethoxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(3-ethoxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3-ethoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-m-phenetyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO4/c1-3-31-21-12-7-11-20(17-21)25-24(18(2)28-22-13-8-14-23(29)26(22)25)27(30)32-16-15-19-9-5-4-6-10-19/h4-7,9-12,17,24-25,28H,2-3,8,13-16H2,1H3