ethyl (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]hex-2-enoate

Systemtic Name: ethyl (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]hex-2-enoate Openeye Name: ethyl (E,4S)-4-[benzyl(cyanomethyl)amino]hex-2-enoate CAS Name: (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[benzyl(cyanomethyl)amino]hex-2-enoate Traditional Name: (E,4S)-4-[benzyl(cyanomethyl)amino]hex-2-enoic acid ethyl ester Formula: C17H22N2O2 MolecularWeight: 286.36878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC(=O)OCC)N(CC#N)CC1=CC=CC=C1

Isomeric SMILES

CC[C@@H](/C=C/C(=O)OCC)N(CC#N)CC1=CC=CC=C1

InChI

InChI=1S/C17H22N2O2/c1-3-16(10-11-17(20)21-4-2)19(13-12-18)14-15-8-6-5-7-9-15/h5-11,16H,3-4,13-14H2,1-2H3/b11-10+/t16-/m0/s1