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

Systemtic Name: cyclopentyl (4R)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl (4R)-2,7,7-trimethyl-5-oxo-4-(p-tolyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4R)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-(p-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=C(C=C1)C2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO3/c1-15-9-11-17(12-10-15)22-21(24(28)29-18-7-5-6-8-18)16(2)26-19-13-25(3,4)14-20(27)23(19)22/h9-12,18,22-23H,5-8,13-14H2,1-4H3/t22-,23?/m1/s1