4-[[6-[(4-hydroxyphenyl)methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[(4-hydroxyphenyl)methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[(4-hydroxyphenyl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[(4-hydroxyphenyl)methylamino]-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[(4-hydroxyphenyl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-[(4-hydroxybenzyl)carbamoyl]-4-keto-1H-quinolin-3-yl]methyl]benzoic acid Formula: C25H20N2O5 MolecularWeight: 428.4367

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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=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O5/c28-20-8-3-16(4-9-20)13-27-24(30)18-7-10-22-21(12-18)23(29)19(14-26-22)11-15-1-5-17(6-2-15)25(31)32/h1-10,12,14,28H,11,13H2,(H,26,29)(H,27,30)(H,31,32)