methyl 2-[(1-butyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(1-butyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(1-butyl-2-hydroxy-4-oxo-quinoline-3-carbonyl)amino]benzoate CAS Name: 2-[[(1-butyl-2-hydroxy-4-oxo-3-quinolinyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(1-butyl-2-hydroxy-4-oxoquinoline-3-carbonyl)amino]benzoate Traditional Name: 2-[(1-butyl-2-hydroxy-4-keto-quinoline-3-carbonyl)amino]benzoic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H22N2O5/c1-3-4-13-24-17-12-8-6-10-15(17)19(25)18(21(24)27)20(26)23-16-11-7-5-9-14(16)22(28)29-2/h5-12,27H,3-4,13H2,1-2H3,(H,23,26)