[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-[(4-bromophenyl)methyl]-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-[(4-bromophenyl)methyl]-3-oxidanylidene-3-phenyl-propanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-[(4-bromophenyl)methyl]-3-oxo-3-phenyl-propanoate CAS Name: (2S)-2-[(4-bromophenyl)methyl]-3-oxo-3-phenylpropanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-[(4-bromophenyl)methyl]-3-oxo-3-phenylpropanoate Traditional Name: (2S)-2-(4-bromobenzyl)-3-keto-3-phenyl-propionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C26H31BrO3 MolecularWeight: 471.42654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](CC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H31BrO3/c1-17(2)22-14-9-18(3)15-24(22)30-26(29)23(16-19-10-12-21(27)13-11-19)25(28)20-7-5-4-6-8-20/h4-8,10-13,17-18,22-24H,9,14-16H2,1-3H3/t18-,22+,23+,24-/m1/s1