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

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 3-oxidanylidene-2,2-bis(phenylcarbonyl)butanoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] 2,2-dibenzoyl-3-oxo-butanoate CAS Name: 2,2-dibenzoyl-3-oxobutanoic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dibenzoyl-3-oxobutanoate Traditional Name: 2,2-dibenzoyl-3-keto-butyric acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H32O5 MolecularWeight: 448.55068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32O5/c1-18(2)23-16-15-19(3)17-24(23)33-27(32)28(20(4)29,25(30)21-11-7-5-8-12-21)26(31)22-13-9-6-10-14-22/h5-14,18-19,23-24H,15-17H2,1-4H3/t19-,23-,24+/m0/s1