ethyl (1S,2R,5S,6S)-6-(4-chlorophenyl)-1-cyano-3-methanoyl-2,5-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,2R,5S,6S)-6-(4-chlorophenyl)-1-cyano-3-methanoyl-2,5-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,2R,5S,6S)-6-(4-chlorophenyl)-1-cyano-3-formyl-2,5-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,2R,5S,6S)-6-(4-chlorophenyl)-1-cyano-3-formyl-2,5-dimethyl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,5S,6S)-6-(4-chlorophenyl)-1-cyano-3-formyl-2,5-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,2R,5S,6S)-6-(4-chlorophenyl)-1-cyano-3-formyl-2,5-dimethyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C19H20ClNO3 MolecularWeight: 345.82

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO3/c1-4-24-18(23)19(11-21)13(3)15(10-22)9-12(2)17(19)14-5-7-16(20)8-6-14/h5-10,12-13,17H,4H2,1-3H3/t12-,13+,17-,19-/m0/s1