methyl (1S,4R)-5-butyl-2,2-dimethyl-3-oxidanylidene-1-phenylmethoxy-bicyclo[2.2.2]oct-5-ene-4-carboxylate

Systemtic Name: methyl (1S,4R)-5-butyl-2,2-dimethyl-3-oxidanylidene-1-phenylmethoxy-bicyclo[2.2.2]oct-5-ene-4-carboxylate Openeye Name: methyl (1S,4R)-1-benzyloxy-5-butyl-2,2-dimethyl-3-oxo-bicyclo[2.2.2]oct-5-ene-4-carboxylate CAS Name: (1S,4R)-5-butyl-2,2-dimethyl-3-oxo-1-phenylmethoxy-4-bicyclo[2.2.2]oct-5-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,4R)-5-butyl-2,2-dimethyl-3-oxo-1-phenylmethoxybicyclo[2.2.2]oct-5-ene-4-carboxylate Traditional Name: (1S,4R)-1-benzoxy-5-butyl-3-keto-2,2-dimethyl-bicyclo[2.2.2]oct-5-ene-4-carboxylic acid methyl ester Formula: C23H30O4 MolecularWeight: 370.4819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2(CCC1(C(=O)C2(C)C)C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C[C@]2(CC[C@@]1(C(=O)C2(C)C)C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C23H30O4/c1-5-6-12-18-15-22(27-16-17-10-8-7-9-11-17)13-14-23(18,20(25)26-4)19(24)21(22,2)3/h7-11,15H,5-6,12-14,16H2,1-4H3/t22-,23+/m0/s1