methyl 2,6-bis(4-bromophenyl)-1-cyano-4-naphthalen-2-yl-3-naphthalen-2-ylcarbonyl-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 2,6-bis(4-bromophenyl)-1-cyano-4-naphthalen-2-yl-3-naphthalen-2-ylcarbonyl-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl 2,6-bis(4-bromophenyl)-1-cyano-4-hydroxy-3-(naphthalene-2-carbonyl)-4-(2-naphthyl)cyclohexanecarboxylate CAS Name: 2,6-bis(4-bromophenyl)-1-cyano-4-hydroxy-4-(2-naphthalenyl)-3-[2-naphthalenyl(oxo)methyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 2,6-bis(4-bromophenyl)-1-cyano-4-hydroxy-3-(naphthalene-2-carbonyl)-4-naphthalen-2-ylcyclohexane-1-carboxylate Traditional Name: 2,6-bis(4-bromophenyl)-1-cyano-4-hydroxy-3-(2-naphthoyl)-4-(2-naphthyl)cyclohexanecarboxylic acid methyl ester Formula: C42H31Br2NO4 MolecularWeight: 773.50784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CC(C(C1C2=CC=C(C=C2)Br)C(=O)C3=CC4=CC=CC=C4C=C3)(C5=CC6=CC=CC=C6C=C5)O)C7=CC=C(C=C7)Br)C#N

Isomeric SMILES

COC(=O)C1(C(CC(C(C1C2=CC=C(C=C2)Br)C(=O)C3=CC4=CC=CC=C4C=C3)(C5=CC6=CC=CC=C6C=C5)O)C7=CC=C(C=C7)Br)C#N

InChI

InChI=1S/C42H31Br2NO4/c1-49-40(47)41(25-45)36(28-13-18-34(43)19-14-28)24-42(48,33-17-12-27-7-3-5-9-31(27)23-33)38(37(41)29-15-20-35(44)21-16-29)39(46)32-11-10-26-6-2-4-8-30(26)22-32/h2-23,36-38,48H,24H2,1H3