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

Systemtic Name: methyl 1-cyano-6-(3,4-dichlorophenyl)-4-naphthalen-2-yl-3-naphthalen-2-ylcarbonyl-4-oxidanyl-2-phenyl-cyclohexane-1-carboxylate Openeye Name: methyl 1-cyano-6-(3,4-dichlorophenyl)-4-hydroxy-3-(naphthalene-2-carbonyl)-4-(2-naphthyl)-2-phenyl-cyclohexanecarboxylate CAS Name: 1-cyano-6-(3,4-dichlorophenyl)-4-hydroxy-4-(2-naphthalenyl)-3-[2-naphthalenyl(oxo)methyl]-2-phenyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-cyano-6-(3,4-dichlorophenyl)-4-hydroxy-3-(naphthalene-2-carbonyl)-4-naphthalen-2-yl-2-phenylcyclohexane-1-carboxylate Traditional Name: 1-cyano-6-(3,4-dichlorophenyl)-4-hydroxy-3-(2-naphthoyl)-4-(2-naphthyl)-2-phenyl-cyclohexanecarboxylic acid methyl ester Formula: C42H31Cl2NO4 MolecularWeight: 684.60584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H31Cl2NO4/c1-49-40(47)41(25-45)34(31-18-20-35(43)36(44)23-31)24-42(48,33-19-17-27-10-6-8-14-30(27)22-33)38(37(41)28-11-3-2-4-12-28)39(46)32-16-15-26-9-5-7-13-29(26)21-32/h2-23,34,37-38,48H,24H2,1H3