ethyl (1S,2R,5S,6S)-1-cyano-3-methanoyl-2-methyl-6-phenyl-5-prop-2-enyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,2R,5S,6S)-1-cyano-3-methanoyl-2-methyl-6-phenyl-5-prop-2-enyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,2R,5S,6S)-5-allyl-1-cyano-3-formyl-2-methyl-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,2R,5S,6S)-1-cyano-3-formyl-2-methyl-6-phenyl-5-prop-2-enyl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,5S,6S)-1-cyano-3-formyl-2-methyl-6-phenyl-5-prop-2-enylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,2R,5S,6S)-5-allyl-1-cyano-3-formyl-2-methyl-6-phenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3/c1-4-9-17-12-18(13-23)15(3)21(14-22,20(24)25-5-2)19(17)16-10-7-6-8-11-16/h4,6-8,10-13,15,17,19H,1,5,9H2,2-3H3/t15-,17+,19-,21+/m1/s1