4-[[2-cyanoethyl(phenyl)carbamoyl]-methyl-amino]butanoic acid

Systemtic Name: 4-[[2-cyanoethyl(phenyl)carbamoyl]-methyl-amino]butanoic acid Openeye Name: 4-[[2-cyanoethyl(phenyl)carbamoyl]-methyl-amino]butanoic acid CAS Name: 4-[[[N-(2-cyanoethyl)anilino]-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-cyanoethyl(phenyl)carbamoyl]-methylamino]butanoic acid Traditional Name: 4-[[2-cyanoethyl(phenyl)carbamoyl]-methyl-amino]butyric acid Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)N(CCC#N)C1=CC=CC=C1

Isomeric SMILES

CN(CCCC(=O)O)C(=O)N(CCC#N)C1=CC=CC=C1

InChI

InChI=1S/C15H19N3O3/c1-17(11-5-9-14(19)20)15(21)18(12-6-10-16)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9,11-12H2,1H3,(H,19,20)