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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-bromophenyl)ethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)acetic 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)acetate Traditional Name: 2-(4-bromophenyl)acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C18H25BrO2 MolecularWeight: 353.2939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CC2=CC=C(C=C2)Br)C(C)C

InChI

InChI=1S/C18H25BrO2/c1-12(2)16-9-4-13(3)10-17(16)21-18(20)11-14-5-7-15(19)8-6-14/h5-8,12-13,16-17H,4,9-11H2,1-3H3/t13-,16+,17-/m0/s1