2-[2-cyanoethyl-(phenylmethyl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-cyanoethyl-(phenylmethyl)carbamoyl]benzoic acid Openeye Name: 2-[benzyl(2-cyanoethyl)carbamoyl]benzoic acid CAS Name: 2-[[2-cyanoethyl-(phenylmethyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[benzyl(2-cyanoethyl)carbamoyl]benzoic acid Traditional Name: 2-[benzyl(2-cyanoethyl)carbamoyl]benzoic acid Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H16N2O3/c19-11-6-12-20(13-14-7-2-1-3-8-14)17(21)15-9-4-5-10-16(15)18(22)23/h1-5,7-10H,6,12-13H2,(H,22,23)