4-[[4-oxidanylidene-6-[(phenylmethyl)carbamoyl]chromen-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-6-[(phenylmethyl)carbamoyl]chromen-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(benzylcarbamoyl)-4-oxo-chromen-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[oxo-[(phenylmethyl)amino]methyl]-1-benzopyran-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(benzylcarbamoyl)-4-oxochromen-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(benzylcarbamoyl)-4-keto-chromen-3-yl]methyl]benzoic acid Formula: C25H19NO5 MolecularWeight: 413.42206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)OC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)OC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H19NO5/c27-23-20(12-16-6-8-18(9-7-16)25(29)30)15-31-22-11-10-19(13-21(22)23)24(28)26-14-17-4-2-1-3-5-17/h1-11,13,15H,12,14H2,(H,26,28)(H,29,30)