[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(phenylcarbonyl)adamantane-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(phenylcarbonyl)adamantane-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-benzoyladamantane-2-carboxylate CAS Name: 2-benzoyl-2-adamantanecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-benzoyladamantane-2-carboxylate Traditional Name: 2-benzoyladamantane-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H38O3 MolecularWeight: 422.59952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2(C3CC4CC(C3)CC2C4)C(=O)C5=CC=CC=C5)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2(C3CC4CC(C3)CC2C4)C(=O)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C28H38O3/c1-17(2)24-10-9-18(3)11-25(24)31-27(30)28(26(29)21-7-5-4-6-8-21)22-13-19-12-20(15-22)16-23(28)14-19/h4-8,17-20,22-25H,9-16H2,1-3H3/t18-,19?,20?,22?,23?,24+,25-,28?/m1/s1