butyl (4S)-2-methyl-4-(4-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: butyl (4S)-2-methyl-4-(4-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: butyl (4S)-2-methyl-5-oxo-4-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid butyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C)C(=O)CCC2)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)C)C(=O)CCC2)C

InChI

InChI=1S/C22H27NO3/c1-4-5-13-26-22(25)19-15(3)23-17-7-6-8-18(24)21(17)20(19)16-11-9-14(2)10-12-16/h9-12,20,23H,4-8,13H2,1-3H3/t20-/m1/s1