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

Systemtic Name: [(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 4-bromanylbenzoate Openeye Name: [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C17H23BrO2 MolecularWeight: 339.26732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrO2/c1-11(2)15-9-4-12(3)10-16(15)20-17(19)13-5-7-14(18)8-6-13/h5-8,11-12,15-16H,4,9-10H2,1-3H3/t12-,15+,16+/m1/s1