methyl (E)-2-cyano-3-[2-cyanoethyl-(phenylmethyl)amino]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[2-cyanoethyl-(phenylmethyl)amino]prop-2-enoate Openeye Name: methyl (E)-3-[benzyl(2-cyanoethyl)amino]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[2-cyanoethyl-(phenylmethyl)amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[benzyl(2-cyanoethyl)amino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[benzyl(2-cyanoethyl)amino]-2-cyano-acrylic acid methyl ester Formula: C15H15N3O2 MolecularWeight: 269.2985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CN(CCC#N)CC1=CC=CC=C1)C#N

Isomeric SMILES

COC(=O)/C(=C/N(CCC#N)CC1=CC=CC=C1)/C#N

InChI

InChI=1S/C15H15N3O2/c1-20-15(19)14(10-17)12-18(9-5-8-16)11-13-6-3-2-4-7-13/h2-4,6-7,12H,5,9,11H2,1H3/b14-12+