cyclohexyl (4S)-4-(3-methoxy-2-propoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclohexyl (4S)-4-(3-methoxy-2-propoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl (4S)-4-(3-methoxy-2-propoxy-phenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-methoxy-2-propoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S)-4-(3-methoxy-2-propoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-4-(3-methoxy-2-propoxy-phenyl)-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C29H39NO5 MolecularWeight: 481.62366

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OC)C2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)(C)C

Isomeric SMILES

CCCOC1=C(C=CC=C1OC)[C@@H]2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C29H39NO5/c1-6-15-34-27-20(13-10-14-23(27)33-5)25-24(28(32)35-19-11-8-7-9-12-19)18(2)30-21-16-29(3,4)17-22(31)26(21)25/h10,13-14,19,25-26H,6-9,11-12,15-17H2,1-5H3/t25-,26?/m0/s1