4-[[6-(1,3-benzoxazol-5-ylmethylcarbamoyl)-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-(1,3-benzoxazol-5-ylmethylcarbamoyl)-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(1,3-benzoxazol-5-ylmethylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[(1,3-benzoxazol-5-ylmethylamino)-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(1,3-benzoxazol-5-ylmethylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(1,3-benzoxazol-5-ylmethylcarbamoyl)-4-keto-1H-quinolin-3-yl]methyl]benzoic acid Formula: C26H19N3O5 MolecularWeight: 453.44616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OC=N5)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OC=N5)C(=O)O

InChI

InChI=1S/C26H19N3O5/c30-24-19(9-15-1-4-17(5-2-15)26(32)33)13-27-21-7-6-18(11-20(21)24)25(31)28-12-16-3-8-23-22(10-16)29-14-34-23/h1-8,10-11,13-14H,9,12H2,(H,27,30)(H,28,31)(H,32,33)