4-[(3-chloranyl-4-cyano-phenyl)carbamoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(3-chloranyl-4-cyano-phenyl)carbamoyl-methyl-amino]butanoic acid Openeye Name: 4-[(3-chloro-4-cyano-phenyl)carbamoyl-methyl-amino]butanoic acid CAS Name: 4-[[(3-chloro-4-cyanoanilino)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(3-chloro-4-cyanophenyl)carbamoyl-methylamino]butanoic acid Traditional Name: 4-[(3-chloro-4-cyano-phenyl)carbamoyl-methyl-amino]butyric acid Formula: C13H14ClN3O3 MolecularWeight: 295.72156

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)NC1=CC(=C(C=C1)C#N)Cl

Isomeric SMILES

CN(CCCC(=O)O)C(=O)NC1=CC(=C(C=C1)C#N)Cl

InChI

InChI=1S/C13H14ClN3O3/c1-17(6-2-3-12(18)19)13(20)16-10-5-4-9(8-15)11(14)7-10/h4-5,7H,2-3,6H2,1H3,(H,16,20)(H,18,19)