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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-bromophenyl)propanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(4-bromophenyl)propanoate CAS Name: 2-(4-bromophenyl)propanoic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(4-bromophenyl)propanoate Traditional Name: 2-(4-bromophenyl)propionic acid [(1S,2R,5S)-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)C(C)C2=CC=C(C=C2)Br)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(C)C

InChI

InChI=1S/C19H27BrO2/c1-12(2)17-10-5-13(3)11-18(17)22-19(21)14(4)15-6-8-16(20)9-7-15/h6-9,12-14,17-18H,5,10-11H2,1-4H3/t13-,14?,17+,18-/m0/s1