[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 3-oxidanylidene-2,2-bis(phenylmethyl)butanoate

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 3-oxidanylidene-2,2-bis(phenylmethyl)butanoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] 2,2-dibenzyl-3-oxo-butanoate CAS Name: 3-oxo-2,2-bis(phenylmethyl)butanoic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dibenzyl-3-oxobutanoate Traditional Name: 2,2-dibenzyl-3-keto-butyric acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H36O3 MolecularWeight: 420.58364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)C)C(C)C

InChI

InChI=1S/C28H36O3/c1-20(2)25-16-15-21(3)17-26(25)31-27(30)28(22(4)29,18-23-11-7-5-8-12-23)19-24-13-9-6-10-14-24/h5-14,20-21,25-26H,15-19H2,1-4H3/t21-,25-,26+/m0/s1