ethyl 2-acetamido-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-5-(4-methylphenyl)-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 2-acetamido-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-5-(4-methylphenyl)-5-oxidanylidene-pentanoate Openeye Name: ethyl 2-acetamido-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-5-oxo-5-(p-tolyl)pentanoate CAS Name: 2-acetamido-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-5-(4-methylphenyl)-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-5-(4-methylphenyl)-5-oxopentanoate Traditional Name: 2-acetamido-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-5-keto-5-(p-tolyl)valeric acid ethyl ester Formula: C25H27BrN2O6 MolecularWeight: 531.39568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)(C(CC(=O)C1=CC=C(C=C1)C)C2=CC(=C(C=C2Br)OC)OC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C#N)(C(CC(=O)C1=CC=C(C=C1)C)C2=CC(=C(C=C2Br)OC)OC)NC(=O)C

InChI

InChI=1S/C25H27BrN2O6/c1-6-34-24(31)25(14-27,28-16(3)29)19(12-21(30)17-9-7-15(2)8-10-17)18-11-22(32-4)23(33-5)13-20(18)26/h7-11,13,19H,6,12H2,1-5H3,(H,28,29)