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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(C2C(=O)CCC=C2N=C1C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)C1[C@H]([C@@H]2C(=O)CCC=C2N=C1C)C3=CC=C(C=C3)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/h7,9-12,19-21H,4-6,8,13H2,1-3H3/t19?,20-,21+/m1/s1