2-(carboxyamino)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzoic acid

Systemtic Name: 2-(carboxyamino)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzoic acid Openeye Name: 2-(carboxyamino)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzoic acid CAS Name: 2-(carboxyamino)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzoic acid IUPAC Name: 2-(carboxyamino)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzoic acid Traditional Name: 2-(carboxyamino)-3-[4-(2-cyanophenyl)benzyl]benzoic acid Formula: C22H16N2O4 MolecularWeight: 372.37344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CC3=CC=CC(=C3NC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CC3=CC=CC(=C3NC(=O)O)C(=O)O

InChI

InChI=1S/C22H16N2O4/c23-13-17-4-1-2-6-18(17)15-10-8-14(9-11-15)12-16-5-3-7-19(21(25)26)20(16)24-22(27)28/h1-11,24H,12H2,(H,25,26)(H,27,28)