4-[[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-[N-(cyanomethyl)anilino]-2-keto-ethyl]amino]butyric acid Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3/c15-8-10-17(12-5-2-1-3-6-12)13(18)11-16-9-4-7-14(19)20/h1-3,5-6,16H,4,7,9-11H2,(H,19,20)