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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C16H20N2O3 MolecularWeight: 288.3416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)NC1=CC=C(C=C1)CC#N

Isomeric SMILES

CC(C)CCC(=O)OCC(=O)NC1=CC=C(C=C1)CC#N

InChI

InChI=1S/C16H20N2O3/c1-12(2)3-8-16(20)21-11-15(19)18-14-6-4-13(5-7-14)9-10-17/h4-7,12H,3,8-9,11H2,1-2H3,(H,18,19)