ethyl (1R,2R,4S,5R)-2-methyl-2-oxidanyl-8-oxidanylidene-4-phenyl-bicyclo[3.2.1]octane-5-carboxylate

Systemtic Name: ethyl (1R,2R,4S,5R)-2-methyl-2-oxidanyl-8-oxidanylidene-4-phenyl-bicyclo[3.2.1]octane-5-carboxylate Openeye Name: ethyl (1R,2R,4S,5R)-2-hydroxy-2-methyl-8-oxo-4-phenyl-bicyclo[3.2.1]octane-5-carboxylate CAS Name: (1R,2R,4S,5R)-2-hydroxy-2-methyl-8-oxo-4-phenyl-5-bicyclo[3.2.1]octanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R,4S,5R)-2-hydroxy-2-methyl-8-oxo-4-phenylbicyclo[3.2.1]octane-5-carboxylate Traditional Name: (1R,2R,4S,5R)-2-hydroxy-8-keto-2-methyl-4-phenyl-bicyclo[3.2.1]octane-5-carboxylic acid ethyl ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCC(C1=O)C(CC2C3=CC=CC=C3)(C)O

Isomeric SMILES

CCOC(=O)[C@@]12CC[C@@H](C1=O)[C@](C[C@H]2C3=CC=CC=C3)(C)O

InChI

InChI=1S/C18H22O4/c1-3-22-16(20)18-10-9-13(15(18)19)17(2,21)11-14(18)12-7-5-4-6-8-12/h4-8,13-14,21H,3,9-11H2,1-2H3/t13-,14-,17+,18+/m0/s1