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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)NC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(CC(=O)O)NC(=O)NC1=CC=C(C=C1)C#N

InChI

InChI=1S/C12H13N3O3/c1-8(6-11(16)17)14-12(18)15-10-4-2-9(7-13)3-5-10/h2-5,8H,6H2,1H3,(H,16,17)(H2,14,15,18)