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

Systemtic Name: ethyl 2-acetamido-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-5-oxidanylidene-5-phenyl-pentanoate Openeye Name: ethyl 2-acetamido-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-5-oxo-5-phenyl-pentanoate CAS Name: 2-acetamido-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-5-oxo-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-5-oxo-5-phenylpentanoate Traditional Name: 2-acetamido-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-5-keto-5-phenyl-valeric acid ethyl ester Formula: C24H25BrN2O6 MolecularWeight: 517.3691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN2O6/c1-5-33-23(30)24(14-26,27-15(2)28)18(12-20(29)16-9-7-6-8-10-16)17-11-21(31-3)22(32-4)13-19(17)25/h6-11,13,18H,5,12H2,1-4H3,(H,27,28)