propyl (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: propyl (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: propyl (4S)-2,7,7-trimethyl-5-oxo-4-(p-tolyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(p-tolyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)C)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C23H29NO3/c1-6-11-27-22(26)19-15(3)24-17-12-23(4,5)13-18(25)21(17)20(19)16-9-7-14(2)8-10-16/h7-10,20,24H,6,11-13H2,1-5H3/t20-/m1/s1