2-[[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[4-(cyanomethyl)anilino]-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3/c1-10(2)14(15(20)21)17-9-13(19)18-12-5-3-11(4-6-12)7-8-16/h3-6,10,14,17H,7,9H2,1-2H3,(H,18,19)(H,20,21)