[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate CAS Name: (E)-3-(2-quinoxalinyl)-2-propenoic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] (E)-3-quinoxalin-2-ylprop-2-enoate Traditional Name: (E)-3-quinoxalin-2-ylacrylic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O3/c1-18-12-13-19(2)24(16-18)30-27(32)26(20-8-4-3-5-9-20)33-25(31)15-14-21-17-28-22-10-6-7-11-23(22)29-21/h3-17,26H,1-2H3,(H,30,32)/b15-14+