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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)OC(=O)C(=CC2=CC=CC=C2)C#N)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2/c1-14(2)17-9-15(3)10-19(12-17)23-20(22)18(13-21)11-16-7-5-4-6-8-16/h4-8,11,14-15,17,19H,9-10,12H2,1-3H3/b18-11+/t15-,17-,19-/m1/s1