tert-butyl (1R,5R)-4-oxidanylidene-1-(6-phenylhexyl)bicyclo[3.2.1]oct-6-ene-5-carboxylate

Systemtic Name: tert-butyl (1R,5R)-4-oxidanylidene-1-(6-phenylhexyl)bicyclo[3.2.1]oct-6-ene-5-carboxylate Openeye Name: tert-butyl (1R,5R)-4-oxo-1-(6-phenylhexyl)bicyclo[3.2.1]oct-6-ene-5-carboxylate CAS Name: (1R,5R)-4-oxo-1-(6-phenylhexyl)-5-bicyclo[3.2.1]oct-6-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,5R)-4-oxo-1-(6-phenylhexyl)bicyclo[3.2.1]oct-6-ene-5-carboxylate Traditional Name: (1R,5R)-4-keto-1-(6-phenylhexyl)bicyclo[3.2.1]oct-6-ene-5-carboxylic acid tert-butyl ester Formula: C25H34O3 MolecularWeight: 382.53566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C12CC(CCC1=O)(C=C2)CCCCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@@]12C[C@@](CCC1=O)(C=C2)CCCCCCC3=CC=CC=C3

InChI

InChI=1S/C25H34O3/c1-23(2,3)28-22(27)25-18-17-24(19-25,16-14-21(25)26)15-10-5-4-7-11-20-12-8-6-9-13-20/h6,8-9,12-13,17-18H,4-5,7,10-11,14-16,19H2,1-3H3/t24-,25-/m0/s1