ethyl 4-methoxy-2-methyl-6-(phenylmethoxymethyl)bicyclo[2.2.2]oct-2-ene-5-carboxylate

Systemtic Name: ethyl 4-methoxy-2-methyl-6-(phenylmethoxymethyl)bicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: ethyl 6-(benzyloxymethyl)-4-methoxy-2-methyl-bicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: 4-methoxy-2-methyl-6-(phenylmethoxymethyl)-5-bicyclo[2.2.2]oct-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methoxy-2-methyl-6-(phenylmethoxymethyl)bicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: 6-(benzoxymethyl)-4-methoxy-2-methyl-bicyclo[2.2.2]oct-2-ene-5-carboxylic acid ethyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2CCC1(C=C2C)OC)COCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(C2CCC1(C=C2C)OC)COCC3=CC=CC=C3

InChI

InChI=1S/C21H28O4/c1-4-25-20(22)19-18(14-24-13-16-8-6-5-7-9-16)17-10-11-21(19,23-3)12-15(17)2/h5-9,12,17-19H,4,10-11,13-14H2,1-3H3