[(1S,5S)-5-[2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-yl] 4-bromanylbenzoate

Systemtic Name: [(1S,5S)-5-[2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-yl] 4-bromanylbenzoate Openeye Name: [(1S,5S)-5-[2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1S,5S)-5-[2-(4-methoxyphenyl)ethyl]-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,5S)-5-[2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S,5S)-5-[2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-yl] ester Formula: C22H23BrO3 MolecularWeight: 415.32022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CC=CC(C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)CC[C@H]2CC=C[C@H](C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrO3/c1-25-20-13-7-16(8-14-20)5-6-17-3-2-4-21(15-17)26-22(24)18-9-11-19(23)12-10-18/h2,4,7-14,17,21H,3,5-6,15H2,1H3/t17-,21-/m1/s1