7-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]carbonylamino]quinoline-3-carboxylic acid

Systemtic Name: 7-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]carbonylamino]quinoline-3-carboxylic acid Openeye Name: 7-[[2-(2,3-dihydrobenzofuran-5-yl)benzoyl]amino]quinoline-3-carboxylic acid CAS Name: 7-[[[2-(2,3-dihydrobenzofuran-5-yl)phenyl]-oxomethyl]amino]-3-quinolinecarboxylic acid IUPAC Name: 7-[[2-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]amino]quinoline-3-carboxylic acid Traditional Name: 7-[(2-coumaran-5-ylbenzoyl)amino]quinoline-3-carboxylic acid Formula: C25H18N2O4 MolecularWeight: 410.42142

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC5=NC=C(C=C5C=C4)C(=O)O

Isomeric SMILES

C1COC2=C1C=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC5=NC=C(C=C5C=C4)C(=O)O

InChI

InChI=1S/C25H18N2O4/c28-24(27-19-7-5-16-12-18(25(29)30)14-26-22(16)13-19)21-4-2-1-3-20(21)15-6-8-23-17(11-15)9-10-31-23/h1-8,11-14H,9-10H2,(H,27,28)(H,29,30)