ethyl (1S,2R,3S,5S)-2-methyl-2-oxidanyl-3,5-bis(phenylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: ethyl (1S,2R,3S,5S)-2-methyl-2-oxidanyl-3,5-bis(phenylcarbonyl)cyclohexane-1-carboxylate Openeye Name: ethyl (1S,2R,3S,5S)-3,5-dibenzoyl-2-hydroxy-2-methyl-cyclohexanecarboxylate CAS Name: (1S,2R,3S,5S)-3,5-dibenzoyl-2-hydroxy-2-methyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,3S,5S)-3,5-dibenzoyl-2-hydroxy-2-methylcyclohexane-1-carboxylate Traditional Name: (1S,2R,3S,5S)-3,5-dibenzoyl-2-hydroxy-2-methyl-cyclohexanecarboxylic acid ethyl ester Formula: C24H26O5 MolecularWeight: 394.46024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CC(C1(C)O)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H26O5/c1-3-29-23(27)20-15-18(21(25)16-10-6-4-7-11-16)14-19(24(20,2)28)22(26)17-12-8-5-9-13-17/h4-13,18-20,28H,3,14-15H2,1-2H3/t18-,19+,20+,24+/m0/s1