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

Systemtic Name: pentyl (4S)-2-methyl-4-(4-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: pentyl (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 pentyl ester IUPAC Name: pentyl (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 amyl ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3/c1-4-5-6-14-27-23(26)20-16(3)24-18-8-7-9-19(25)22(18)21(20)17-12-10-15(2)11-13-17/h10-13,21,24H,4-9,14H2,1-3H3/t21-/m1/s1