[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H21NO3/c1-3-16-9-11-19(4-2)20(13-16)21(24)15-26-22(25)12-10-17-5-7-18(14-23)8-6-17/h5-13H,3-4,15H2,1-2H3/b12-10+