ethyl (1R,2S,3R,4S,6R)-1-cyano-2,6-bis(4-methoxyphenyl)-4-naphthalen-2-yl-3-naphthalen-2-ylcarbonyl-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2S,3R,4S,6R)-1-cyano-2,6-bis(4-methoxyphenyl)-4-naphthalen-2-yl-3-naphthalen-2-ylcarbonyl-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2S,3R,4S,6R)-1-cyano-4-hydroxy-2,6-bis(4-methoxyphenyl)-3-(naphthalene-2-carbonyl)-4-(2-naphthyl)cyclohexanecarboxylate CAS Name: (1R,2S,3R,4S,6R)-1-cyano-4-hydroxy-2,6-bis(4-methoxyphenyl)-4-(2-naphthalenyl)-3-[2-naphthalenyl(oxo)methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S,3R,4S,6R)-1-cyano-4-hydroxy-2,6-bis(4-methoxyphenyl)-3-(naphthalene-2-carbonyl)-4-naphthalen-2-ylcyclohexane-1-carboxylate Traditional Name: (1R,2S,3R,4S,6R)-1-cyano-4-hydroxy-2,6-bis(4-methoxyphenyl)-3-(2-naphthoyl)-4-(2-naphthyl)cyclohexanecarboxylic acid ethyl ester Formula: C45H39NO6 MolecularWeight: 689.79426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@@]1([C@H](C[C@]([C@@H]([C@H]1C2=CC=C(C=C2)OC)C(=O)C3=CC4=CC=CC=C4C=C3)(C5=CC6=CC=CC=C6C=C5)O)C7=CC=C(C=C7)OC)C#N

InChI

InChI=1S/C45H39NO6/c1-4-52-43(48)44(28-46)39(31-16-21-37(50-2)22-17-31)27-45(49,36-20-15-30-10-6-8-12-34(30)26-36)41(40(44)32-18-23-38(51-3)24-19-32)42(47)35-14-13-29-9-5-7-11-33(29)25-35/h5-26,39-41,49H,4,27H2,1-3H3/t39-,40-,41+,44-,45-/m1/s1