[(1R,2S,5R)-2-tert-butyl-5-methyl-cyclohexyl] (5S)-2-oxidanylidene-5-phenyl-cyclopentane-1-carboxylate

Systemtic Name: [(1R,2S,5R)-2-tert-butyl-5-methyl-cyclohexyl] (5S)-2-oxidanylidene-5-phenyl-cyclopentane-1-carboxylate Openeye Name: [(1R,2S,5R)-2-tert-butyl-5-methyl-cyclohexyl] (5S)-2-oxo-5-phenyl-cyclopentanecarboxylate CAS Name: (5S)-2-oxo-5-phenyl-1-cyclopentanecarboxylic acid [(1R,2S,5R)-2-tert-butyl-5-methylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-2-tert-butyl-5-methylcyclohexyl] (5S)-2-oxo-5-phenylcyclopentane-1-carboxylate Traditional Name: (5S)-2-keto-5-phenyl-cyclopentanecarboxylic acid [(1R,2S,5R)-2-tert-butyl-5-methyl-cyclohexyl] ester Formula: C23H32O3 MolecularWeight: 356.49838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2C(CCC2=O)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2[C@H](CCC2=O)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C23H32O3/c1-15-10-12-18(23(2,3)4)20(14-15)26-22(25)21-17(11-13-19(21)24)16-8-6-5-7-9-16/h5-9,15,17-18,20-21H,10-14H2,1-4H3/t15-,17-,18-,20-,21?/m1/s1