[(S)-[(1R,2S)-1-(4-bromophenyl)-2-oxidanyl-cyclohexyl]-phenyl-methyl] benzoate

Systemtic Name: [(S)-[(1R,2S)-1-(4-bromophenyl)-2-oxidanyl-cyclohexyl]-phenyl-methyl] benzoate Openeye Name: [(S)-[(1R,2S)-1-(4-bromophenyl)-2-hydroxy-cyclohexyl]-phenyl-methyl] benzoate CAS Name: benzoic acid [(S)-[(1R,2S)-1-(4-bromophenyl)-2-hydroxycyclohexyl]-phenylmethyl] ester IUPAC Name: [(S)-[(1R,2S)-1-(4-bromophenyl)-2-hydroxycyclohexyl]-phenylmethyl] benzoate Traditional Name: benzoic acid [(S)-[(1R,2S)-1-(4-bromophenyl)-2-hydroxy-cyclohexyl]-phenyl-methyl] ester Formula: C26H25BrO3 MolecularWeight: 465.3789

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)O)(C2=CC=C(C=C2)Br)C(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[C@]([C@H](C1)O)(C2=CC=C(C=C2)Br)[C@H](C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25BrO3/c27-22-16-14-21(15-17-22)26(18-8-7-13-23(26)28)24(19-9-3-1-4-10-19)30-25(29)20-11-5-2-6-12-20/h1-6,9-12,14-17,23-24,28H,7-8,13,18H2/t23-,24-,26+/m0/s1