3-[(3-cyanophenyl)carbonylamino]butanoic acid

Systemtic Name: 3-[(3-cyanophenyl)carbonylamino]butanoic acid Openeye Name: 3-[(3-cyanobenzoyl)amino]butanoic acid CAS Name: 3-[[(3-cyanophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(3-cyanobenzoyl)amino]butanoic acid Traditional Name: 3-[(3-cyanobenzoyl)amino]butyric acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C12H12N2O3/c1-8(5-11(15)16)14-12(17)10-4-2-3-9(6-10)7-13/h2-4,6,8H,5H2,1H3,(H,14,17)(H,15,16)