4-[[2-(4-butoxyphenyl)quinolin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-(4-butoxyphenyl)quinolin-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(4-butoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(4-butoxyphenyl)-4-quinolinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-butoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-(4-butoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

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