[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C19H17NO4 MolecularWeight: 323.34258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C19H17NO4/c1-3-23-17-9-7-15(8-10-17)18(21)13(2)24-19(22)16-6-4-5-14(11-16)12-20/h4-11,13H,3H2,1-2H3/t13-/m0/s1