4-[[1-(3-methylbutyl)-2-oxidanylidene-4-propoxy-quinolin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-(3-methylbutyl)-2-oxidanylidene-4-propoxy-quinolin-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[(1-isopentyl-2-oxo-4-propoxy-quinoline-3-carbonyl)amino]benzoic acid CAS Name: 4-[[[1-(3-methylbutyl)-2-oxo-4-propoxy-3-quinolinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(3-methylbutyl)-2-oxo-4-propoxyquinoline-3-carbonyl]amino]benzoic acid Traditional Name: 4-[(1-isoamyl-2-keto-4-propoxy-quinoline-3-carbonyl)amino]benzoic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=O)N(C2=CC=CC=C21)CCC(C)C)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCOC1=C(C(=O)N(C2=CC=CC=C21)CCC(C)C)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H28N2O5/c1-4-15-32-22-19-7-5-6-8-20(19)27(14-13-16(2)3)24(29)21(22)23(28)26-18-11-9-17(10-12-18)25(30)31/h5-12,16H,4,13-15H2,1-3H3,(H,26,28)(H,30,31)