[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(=CC2=CC=CC=C2)C#N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C(=C/C2=CC=CC=C2)/C#N)C(C)C

InChI

InChI=1S/C20H25NO2/c1-14(2)18-10-9-15(3)11-19(18)23-20(22)17(13-21)12-16-7-5-4-6-8-16/h4-8,12,14-15,18-19H,9-11H2,1-3H3/b17-12+/t15-,18+,19-/m1/s1