cyanomethyl (3S)-4-oxidanylidene-3-(phenylmethyl)hexanoate

Systemtic Name: cyanomethyl (3S)-4-oxidanylidene-3-(phenylmethyl)hexanoate Openeye Name: cyanomethyl (3S)-3-benzyl-4-oxo-hexanoate CAS Name: (3S)-4-oxo-3-(phenylmethyl)hexanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (3S)-3-benzyl-4-oxohexanoate Traditional Name: (3S)-3-benzyl-4-keto-hexanoic acid cyanomethyl ester Formula: C15H17NO3 MolecularWeight: 259.30038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3/c1-2-14(17)13(11-15(18)19-9-8-16)10-12-6-4-3-5-7-12/h3-7,13H,2,9-11H2,1H3/t13-/m0/s1