methyl (1S,6R)-1-cyano-4-methoxy-6-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,6R)-1-cyano-4-methoxy-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,6R)-1-cyano-4-methoxy-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-1-cyano-4-methoxy-6-phenyl-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6R)-1-cyano-4-methoxy-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-1-cyano-4-methoxy-6-phenyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CCC(C(C1)C2=CC=CC=C2)(C#N)C(=O)OC

Isomeric SMILES

COC1=CC[C@]([C@H](C1)C2=CC=CC=C2)(C#N)C(=O)OC

InChI

InChI=1S/C16H17NO3/c1-19-13-8-9-16(11-17,15(18)20-2)14(10-13)12-6-4-3-5-7-12/h3-8,14H,9-10H2,1-2H3/t14-,16-/m1/s1