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

Systemtic Name: 4-[[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-[4-(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(=CC=C1CC#N)NC(=O)CNCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CNCCCC(=O)O

InChI

InChI=1S/C14H17N3O3/c15-8-7-11-3-5-12(6-4-11)17-13(18)10-16-9-1-2-14(19)20/h3-6,16H,1-2,7,9-10H2,(H,17,18)(H,19,20)