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

Systemtic Name: cyclohexyl (4S)-4-(4-acetyloxy-3-ethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl (4S)-4-(4-acetoxy-3-ethoxy-phenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-acetyloxy-3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S)-4-(4-acetyloxy-3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-acetoxy-3-ethoxy-phenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C29H37NO6 MolecularWeight: 495.60718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)(C)C)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)(C)C)OC(=O)C

InChI

InChI=1S/C29H37NO6/c1-6-34-24-14-19(12-13-23(24)35-18(3)31)26-25(28(33)36-20-10-8-7-9-11-20)17(2)30-21-15-29(4,5)16-22(32)27(21)26/h12-14,20,26-27H,6-11,15-16H2,1-5H3/t26-,27?/m0/s1