[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-1,2-bis(p-tolyl)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-methylphenyl)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C27H23NO4 MolecularWeight: 425.47582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C(=CC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)/C(=C/C3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C27H23NO4/c1-18-4-10-21(11-5-18)25(29)26(22-12-6-19(2)7-13-22)32-27(30)23(17-28)16-20-8-14-24(31-3)15-9-20/h4-16,26H,1-3H3/b23-16+