diethyl 2,4-bis(3-bromanyl-4-methoxy-phenyl)-3-cyano-6-oxidanylidene-piperidine-3,5-dicarboxylate

Systemtic Name: diethyl 2,4-bis(3-bromanyl-4-methoxy-phenyl)-3-cyano-6-oxidanylidene-piperidine-3,5-dicarboxylate Openeye Name: diethyl 2,4-bis(3-bromo-4-methoxy-phenyl)-3-cyano-6-oxo-piperidine-3,5-dicarboxylate CAS Name: 2,4-bis(3-bromo-4-methoxyphenyl)-3-cyano-6-oxopiperidine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,4-bis(3-bromo-4-methoxyphenyl)-3-cyano-6-oxopiperidine-3,5-dicarboxylate Traditional Name: 2,4-bis(3-bromo-4-methoxy-phenyl)-3-cyano-6-keto-piperidine-3,5-dicarboxylic acid diethyl ester Formula: C26H26Br2N2O7 MolecularWeight: 638.30184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(NC1=O)C2=CC(=C(C=C2)OC)Br)(C#N)C(=O)OCC)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCOC(=O)C1C(C(C(NC1=O)C2=CC(=C(C=C2)OC)Br)(C#N)C(=O)OCC)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C26H26Br2N2O7/c1-5-36-24(32)20-21(14-7-9-18(34-3)16(27)11-14)26(13-29,25(33)37-6-2)22(30-23(20)31)15-8-10-19(35-4)17(28)12-15/h7-12,20-22H,5-6H2,1-4H3,(H,30,31)