[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H19NO3/c1-14-4-5-15(2)19(12-14)21(24)16(3)25-20(23)11-10-17-6-8-18(13-22)9-7-17/h4-12,16H,1-3H3/b11-10+/t16-/m0/s1