propyl (4S,4aR)-2-methyl-4-(4-methylphenyl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: propyl (4S,4aR)-2-methyl-4-(4-methylphenyl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: propyl (4S,4aR)-2-methyl-5-oxo-4-(p-tolyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aR)-2-methyl-4-(4-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S,4aR)-2-methyl-4-(4-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aR)-5-keto-2-methyl-4-(p-tolyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid propyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=CC=C(C=C3)C)C

Isomeric SMILES

CCCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@H]1C3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H25NO3/c1-4-12-25-21(24)18-14(3)22-16-6-5-7-17(23)20(16)19(18)15-10-8-13(2)9-11-15/h8-11,19-20H,4-7,12H2,1-3H3/t19-,20+/m0/s1