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

Systemtic Name: 4-[(6-cyano-4-oxidanylidene-3-phenylmethoxycarbonyl-2H-chromen-3-yl)methyl]benzoic acid Openeye Name: 4-[(3-benzyloxycarbonyl-6-cyano-4-oxo-chroman-3-yl)methyl]benzoic acid CAS Name: 4-[(6-cyano-4-oxo-3-phenylmethoxycarbonyl-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]benzoic acid IUPAC Name: 4-[(6-cyano-4-oxo-3-phenylmethoxycarbonyl-2H-chromen-3-yl)methyl]benzoic acid Traditional Name: 4-[(3-carbobenzoxy-6-cyano-4-keto-chroman-3-yl)methyl]benzoic acid Formula: C26H19NO6 MolecularWeight: 441.43216

Click to see the large picture

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)OCC4=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)OCC4=CC=CC=C4

InChI

InChI=1S/C26H19NO6/c27-14-19-8-11-22-21(12-19)23(28)26(16-33-22,13-17-6-9-20(10-7-17)24(29)30)25(31)32-15-18-4-2-1-3-5-18/h1-12H,13,15-16H2,(H,29,30)