4-[[2-(4-butoxyphenyl)quinolin-4-yl]carbonylamino]benzoate

Systemtic Name: 4-[[2-(4-butoxyphenyl)quinolin-4-yl]carbonylamino]benzoate Openeye Name: 4-[[2-(4-butoxyphenyl)quinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[[2-(4-butoxyphenyl)-4-quinolinyl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[2-(4-butoxyphenyl)quinoline-4-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-butoxyphenyl)quinoline-4-carbonyl]amino]benzoate Formula: C27H23N2O4- MolecularWeight: 439.48252

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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)/p-1