[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C(=CC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N

InChI

InChI=1S/C22H21NO4/c1-4-16-5-9-18(10-6-16)21(24)15(2)27-22(25)19(14-23)13-17-7-11-20(26-3)12-8-17/h5-13,15H,4H2,1-3H3/b19-13+/t15-/m0/s1