ethyl 2,6-bis(3-bromophenyl)-1-cyano-4-oxidanyl-4-phenyl-3-(phenylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: ethyl 2,6-bis(3-bromophenyl)-1-cyano-4-oxidanyl-4-phenyl-3-(phenylcarbonyl)cyclohexane-1-carboxylate Openeye Name: ethyl 3-benzoyl-2,6-bis(3-bromophenyl)-1-cyano-4-hydroxy-4-phenyl-cyclohexanecarboxylate CAS Name: 3-benzoyl-2,6-bis(3-bromophenyl)-1-cyano-4-hydroxy-4-phenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-2,6-bis(3-bromophenyl)-1-cyano-4-hydroxy-4-phenylcyclohexane-1-carboxylate Traditional Name: 3-benzoyl-2,6-bis(3-bromophenyl)-1-cyano-4-hydroxy-4-phenyl-cyclohexanecarboxylic acid ethyl ester Formula: C35H29Br2NO4 MolecularWeight: 687.41706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(CC(C(C1C2=CC(=CC=C2)Br)C(=O)C3=CC=CC=C3)(C4=CC=CC=C4)O)C5=CC(=CC=C5)Br)C#N

Isomeric SMILES

CCOC(=O)C1(C(CC(C(C1C2=CC(=CC=C2)Br)C(=O)C3=CC=CC=C3)(C4=CC=CC=C4)O)C5=CC(=CC=C5)Br)C#N

InChI

InChI=1S/C35H29Br2NO4/c1-2-42-33(40)34(22-38)29(24-13-9-17-27(36)19-24)21-35(41,26-15-7-4-8-16-26)31(32(39)23-11-5-3-6-12-23)30(34)25-14-10-18-28(37)20-25/h3-20,29-31,41H,2,21H2,1H3