methyl (1S,2R,6S)-1-cyano-2,6-diphenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,2R,6S)-1-cyano-2,6-diphenyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,2R,6S)-1-cyano-2,6-diphenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,2R,6S)-1-cyano-2,6-diphenyl-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,6S)-1-cyano-2,6-diphenylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,2R,6S)-1-cyano-2,6-diphenyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C21H19NO2 MolecularWeight: 317.38106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CC=CC1C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO2/c1-24-20(23)21(15-22)18(16-9-4-2-5-10-16)13-8-14-19(21)17-11-6-3-7-12-17/h2-13,18-19H,14H2,1H3/t18-,19+,21-/m1/s1