4-[(3-cyanophenyl)carbonylamino]butanoic acid

Systemtic Name: 4-[(3-cyanophenyl)carbonylamino]butanoic acid Openeye Name: 4-[(3-cyanobenzoyl)amino]butanoic acid CAS Name: 4-[[(3-cyanophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(3-cyanobenzoyl)amino]butanoic acid Traditional Name: 4-[(3-cyanobenzoyl)amino]butyric acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3/c13-8-9-3-1-4-10(7-9)12(17)14-6-2-5-11(15)16/h1,3-4,7H,2,5-6H2,(H,14,17)(H,15,16)