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

Systemtic Name: 4-[(3-cyanophenyl)carbamoylamino]butanoic acid Openeye Name: 4-[(3-cyanophenyl)carbamoylamino]butanoic acid CAS Name: 4-[[(3-cyanoanilino)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(3-cyanophenyl)carbamoylamino]butanoic acid Traditional Name: 4-[(3-cyanophenyl)carbamoylamino]butyric acid Formula: C12H13N3O3 MolecularWeight: 247.24992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c13-8-9-3-1-4-10(7-9)15-12(18)14-6-2-5-11(16)17/h1,3-4,7H,2,5-6H2,(H,16,17)(H2,14,15,18)