4-[[6-cyano-4-oxidanylidene-3-[(phenylmethyl)carbamoyl]-2H-chromen-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-cyano-4-oxidanylidene-3-[(phenylmethyl)carbamoyl]-2H-chromen-3-yl]methyl]benzoic acid Openeye Name: 4-[[3-(benzylcarbamoyl)-6-cyano-4-oxo-chroman-3-yl]methyl]benzoic acid CAS Name: 4-[[6-cyano-4-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-3-yl]methyl]benzoic acid IUPAC Name: 4-[[3-(benzylcarbamoyl)-6-cyano-4-oxo-2H-chromen-3-yl]methyl]benzoic acid Traditional Name: 4-[[3-(benzylcarbamoyl)-6-cyano-4-keto-chroman-3-yl]methyl]benzoic acid Formula: C26H20N2O5 MolecularWeight: 440.4474

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C(O1)C=CC(=C2)C#N)(CC3=CC=C(C=C3)C(=O)O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)C2=C(O1)C=CC(=C2)C#N)(CC3=CC=C(C=C3)C(=O)O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H20N2O5/c27-14-19-8-11-22-21(12-19)23(29)26(16-33-22,13-17-6-9-20(10-7-17)24(30)31)25(32)28-15-18-4-2-1-3-5-18/h1-12H,13,15-16H2,(H,28,32)(H,30,31)