[4-[(3-butanoyl-8-oxidanyl-quinolin-4-yl)amino]-3-methyl-phenyl] benzoate

Systemtic Name: [4-[(3-butanoyl-8-oxidanyl-quinolin-4-yl)amino]-3-methyl-phenyl] benzoate Openeye Name: [4-[(3-butanoyl-8-hydroxy-4-quinolyl)amino]-3-methyl-phenyl] benzoate CAS Name: benzoic acid [4-[[8-hydroxy-3-(1-oxobutyl)-4-quinolinyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[(3-butanoyl-8-hydroxyquinolin-4-yl)amino]-3-methylphenyl] benzoate Traditional Name: benzoic acid [4-[(3-butyryl-8-hydroxy-4-quinolyl)amino]-3-methyl-phenyl] ester Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)OC(=O)C4=CC=CC=C4)C)C=CC=C2O

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)OC(=O)C4=CC=CC=C4)C)C=CC=C2O

InChI

InChI=1S/C27H24N2O4/c1-3-8-23(30)21-16-28-26-20(11-7-12-24(26)31)25(21)29-22-14-13-19(15-17(22)2)33-27(32)18-9-5-4-6-10-18/h4-7,9-16,31H,3,8H2,1-2H3,(H,28,29)