[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-(4-bromophenyl)propanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-(4-bromophenyl)propanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3-(4-bromophenyl)propanoate CAS Name: 3-(4-bromophenyl)propanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-(4-bromophenyl)propanoate Traditional Name: 3-(4-bromophenyl)propionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C19H27BrO2 MolecularWeight: 367.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CCC2=CC=C(C=C2)Br)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CCC2=CC=C(C=C2)Br)C(C)C

InChI

InChI=1S/C19H27BrO2/c1-13(2)17-10-4-14(3)12-18(17)22-19(21)11-7-15-5-8-16(20)9-6-15/h5-6,8-9,13-14,17-18H,4,7,10-12H2,1-3H3/t14-,17+,18-/m1/s1