[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: [1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate Openeye Name: [2-oxo-1,2-bis(p-tolyl)ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate CAS Name: (E)-3-(2-quinoxalinyl)-2-propenoic acid [1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-methylphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate Traditional Name: (E)-3-quinoxalin-2-ylacrylic acid [2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C27H22N2O3 MolecularWeight: 422.47518

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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=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)/C=C/C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C27H22N2O3/c1-18-7-11-20(12-8-18)26(31)27(21-13-9-19(2)10-14-21)32-25(30)16-15-22-17-28-23-5-3-4-6-24(23)29-22/h3-17,27H,1-2H3/b16-15+