[3-butanoyl-2-[(4-methylphenyl)amino]quinolin-6-yl]methyl benzoate

Systemtic Name: [3-butanoyl-2-[(4-methylphenyl)amino]quinolin-6-yl]methyl benzoate Openeye Name: [3-butanoyl-2-(4-methylanilino)-6-quinolyl]methyl benzoate CAS Name: benzoic acid [2-(4-methylanilino)-3-(1-oxobutyl)-6-quinolinyl]methyl ester IUPAC Name: [3-butanoyl-2-(4-methylanilino)quinolin-6-yl]methyl benzoate Traditional Name: benzoic acid [3-butyryl-2-(p-toluidino)-6-quinolyl]methyl ester Formula: C28H26N2O3 MolecularWeight: 438.51764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(N=C2C=CC(=CC2=C1)COC(=O)C3=CC=CC=C3)NC4=CC=C(C=C4)C

Isomeric SMILES

CCCC(=O)C1=C(N=C2C=CC(=CC2=C1)COC(=O)C3=CC=CC=C3)NC4=CC=C(C=C4)C

InChI

InChI=1S/C28H26N2O3/c1-3-7-26(31)24-17-22-16-20(18-33-28(32)21-8-5-4-6-9-21)12-15-25(22)30-27(24)29-23-13-10-19(2)11-14-23/h4-6,8-17H,3,7,18H2,1-2H3,(H,29,30)