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

Systemtic Name: methyl 1-cyano-2,6-bis(3,4-dichlorophenyl)-4-naphthalen-2-yl-3-naphthalen-2-ylcarbonyl-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl 1-cyano-2,6-bis(3,4-dichlorophenyl)-4-hydroxy-3-(naphthalene-2-carbonyl)-4-(2-naphthyl)cyclohexanecarboxylate CAS Name: 1-cyano-2,6-bis(3,4-dichlorophenyl)-4-hydroxy-4-(2-naphthalenyl)-3-[2-naphthalenyl(oxo)methyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-cyano-2,6-bis(3,4-dichlorophenyl)-4-hydroxy-3-(naphthalene-2-carbonyl)-4-naphthalen-2-ylcyclohexane-1-carboxylate Traditional Name: 1-cyano-2,6-bis(3,4-dichlorophenyl)-4-hydroxy-3-(2-naphthoyl)-4-(2-naphthyl)cyclohexanecarboxylic acid methyl ester Formula: C42H29Cl4NO4 MolecularWeight: 753.49596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CC(C(C1C2=CC(=C(C=C2)Cl)Cl)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(=C(C=C2)Cl)Cl)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/C42H29Cl4NO4/c1-51-40(49)41(23-47)32(28-13-16-33(43)35(45)20-28)22-42(50,31-15-12-25-7-3-5-9-27(25)19-31)38(37(41)29-14-17-34(44)36(46)21-29)39(48)30-11-10-24-6-2-4-8-26(24)18-30/h2-21,32,37-38,50H,22H2,1H3