cyclohexyl (4S)-4-(3,4-diethoxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: cyclohexyl (4S)-4-(3,4-diethoxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4S)-4-(3,4-diethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S)-4-(3,4-diethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S)-4-(3,4-diethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3,4-diethoxyphenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CCCC3=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@@H]2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CCCC3=O)OCC

InChI

InChI=1S/C27H35NO5/c1-4-31-22-15-14-18(16-23(22)32-5-2)25-24(27(30)33-19-10-7-6-8-11-19)17(3)28-20-12-9-13-21(29)26(20)25/h14-16,19,25-26H,4-13H2,1-3H3/t25-,26?/m0/s1