cyclopentyl (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclopentyl (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl (4S)-2,7,7-trimethyl-4-(o-tolyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(o-tolyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)(C)C

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C25H31NO3/c1-15-9-5-8-12-18(15)22-21(24(28)29-17-10-6-7-11-17)16(2)26-19-13-25(3,4)14-20(27)23(19)22/h5,8-9,12,17,22-23H,6-7,10-11,13-14H2,1-4H3/t22-,23?/m0/s1