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

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3/c1-3-16-8-11-19(12-9-16)21(24)15(2)25-20(23)13-10-17-4-6-18(14-22)7-5-17/h4-13,15H,3H2,1-2H3/b13-10+/t15-/m0/s1