methyl (1S,2R,3R,6R)-2-(4-chlorophenyl)-1-cyano-3-methanoyl-6-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R,3R,6R)-2-(4-chlorophenyl)-1-cyano-3-methanoyl-6-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,3R,6R)-2-(4-chlorophenyl)-1-cyano-3-formyl-6-hydroxy-cyclohexanecarboxylate CAS Name: (1S,2R,3R,6R)-2-(4-chlorophenyl)-1-cyano-3-formyl-6-hydroxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,3R,6R)-2-(4-chlorophenyl)-1-cyano-3-formyl-6-hydroxycyclohexane-1-carboxylate Traditional Name: (1S,2R,3R,6R)-2-(4-chlorophenyl)-1-cyano-3-formyl-6-hydroxy-cyclohexanecarboxylic acid methyl ester Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CCC(C1C2=CC=C(C=C2)Cl)C=O)O)C#N

Isomeric SMILES

COC(=O)[C@]1([C@@H](CC[C@H]([C@@H]1C2=CC=C(C=C2)Cl)C=O)O)C#N

InChI

InChI=1S/C16H16ClNO4/c1-22-15(21)16(9-18)13(20)7-4-11(8-19)14(16)10-2-5-12(17)6-3-10/h2-3,5-6,8,11,13-14,20H,4,7H2,1H3/t11-,13+,14-,16-/m0/s1