[3-butanoyl-2-[(4-methylphenyl)amino]-4-oxidanylidene-1H-quinolin-8-yl]methyl 4-methoxybenzoate

Systemtic Name: [3-butanoyl-2-[(4-methylphenyl)amino]-4-oxidanylidene-1H-quinolin-8-yl]methyl 4-methoxybenzoate Openeye Name: [3-butanoyl-2-(4-methylanilino)-4-oxo-1H-quinolin-8-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-(4-methylanilino)-4-oxo-3-(1-oxobutyl)-1H-quinolin-8-yl]methyl ester IUPAC Name: [3-butanoyl-2-(4-methylanilino)-4-oxo-1H-quinolin-8-yl]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-butyryl-4-keto-2-(p-toluidino)-1H-quinolin-8-yl]methyl ester Formula: C29H28N2O5 MolecularWeight: 484.54302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(NC2=C(C1=O)C=CC=C2COC(=O)C3=CC=C(C=C3)OC)NC4=CC=C(C=C4)C

Isomeric SMILES

CCCC(=O)C1=C(NC2=C(C1=O)C=CC=C2COC(=O)C3=CC=C(C=C3)OC)NC4=CC=C(C=C4)C

InChI

InChI=1S/C29H28N2O5/c1-4-6-24(32)25-27(33)23-8-5-7-20(17-36-29(34)19-11-15-22(35-3)16-12-19)26(23)31-28(25)30-21-13-9-18(2)10-14-21/h5,7-16H,4,6,17H2,1-3H3,(H2,30,31,33)