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

Systemtic Name: [2-[(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 2-(4-bromophenyl)ethanoate Openeye Name: [2-[(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)acetic acid [2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] ester IUPAC Name: [2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(4-bromophenyl)acetate Traditional Name: 2-(4-bromophenyl)acetic acid [2-[(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester Formula: C20H27BrO4 MolecularWeight: 411.32998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrO4/c1-13(2)17-9-4-14(3)10-18(17)25-20(23)12-24-19(22)11-15-5-7-16(21)8-6-15/h5-8,13-14,17-18H,4,9-12H2,1-3H3/t14-,17-,18-/m0/s1