[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-3-(4-bromophenyl)-2-cyano-prop-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-3-(4-bromophenyl)-2-cyano-prop-2-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (E)-3-(4-bromophenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-cyano-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)-3-(4-bromophenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)-2-cyano-acrylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H24BrNO2 MolecularWeight: 390.31406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO2/c1-13(2)18-9-4-14(3)10-19(18)24-20(23)16(12-22)11-15-5-7-17(21)8-6-15/h5-8,11,13-14,18-19H,4,9-10H2,1-3H3/b16-11+/t14-,18+,19-/m1/s1