ethyl (1S,2S,3R,4R,5R)-1-cyano-3-methanoyl-5-methyl-4-oxidanyl-2,5-diphenyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1S,2S,3R,4R,5R)-1-cyano-3-methanoyl-5-methyl-4-oxidanyl-2,5-diphenyl-cyclohexane-1-carboxylate Openeye Name: ethyl (1S,2S,3R,4R,5R)-1-cyano-3-formyl-4-hydroxy-5-methyl-2,5-diphenyl-cyclohexanecarboxylate CAS Name: (1S,2S,3R,4R,5R)-1-cyano-3-formyl-4-hydroxy-5-methyl-2,5-diphenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S,3R,4R,5R)-1-cyano-3-formyl-4-hydroxy-5-methyl-2,5-diphenylcyclohexane-1-carboxylate Traditional Name: (1S,2S,3R,4R,5R)-1-cyano-3-formyl-4-hydroxy-5-methyl-2,5-diphenyl-cyclohexanecarboxylic acid ethyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@]1(C[C@]([C@@H]([C@@H]([C@H]1C2=CC=CC=C2)C=O)O)(C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H25NO4/c1-3-29-22(28)24(16-25)15-23(2,18-12-8-5-9-13-18)21(27)19(14-26)20(24)17-10-6-4-7-11-17/h4-14,19-21,27H,3,15H2,1-2H3/t19-,20-,21-,23-,24-/m1/s1