phenethyl 4-(4-ethoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: phenethyl 4-(4-ethoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 4-(4-ethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-ethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-p-phenetyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3C(=O)CCC=C3NC(=C2C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3C(=O)CCC=C3NC(=C2C(=O)OCCC4=CC=CC=C4)C

InChI

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