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

Systemtic Name: propan-2-yl (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: isopropyl (4S)-2,7,7-trimethyl-5-oxo-4-(p-tolyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(p-tolyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid isopropyl ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OC(C)C)C)CC(CC3=O)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3/c1-13(2)27-22(26)19-15(4)24-17-11-23(5,6)12-18(25)21(17)20(19)16-9-7-14(3)8-10-16/h7-10,13,20-21H,11-12H2,1-6H3/t20-,21?/m0/s1