ethyl (1S,4S)-2-(4-methylphenyl)bicyclo[2.2.2]oct-5-ene-3-carboxylate

Systemtic Name: ethyl (1S,4S)-2-(4-methylphenyl)bicyclo[2.2.2]oct-5-ene-3-carboxylate Openeye Name: ethyl (1S,4S)-2-(p-tolyl)bicyclo[2.2.2]oct-5-ene-3-carboxylate CAS Name: (1S,4S)-2-(4-methylphenyl)-3-bicyclo[2.2.2]oct-5-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,4S)-2-(4-methylphenyl)bicyclo[2.2.2]oct-5-ene-3-carboxylate Traditional Name: (1S,4S)-2-(p-tolyl)bicyclo[2.2.2]oct-5-ene-3-carboxylic acid ethyl ester Formula: C18H22O2 MolecularWeight: 270.36608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC(C1C3=CC=C(C=C3)C)C=C2

Isomeric SMILES

CCOC(=O)C1[C@H]2CC[C@H](C1C3=CC=C(C=C3)C)C=C2

InChI

InChI=1S/C18H22O2/c1-3-20-18(19)17-15-10-8-14(9-11-15)16(17)13-6-4-12(2)5-7-13/h4-8,10,14-17H,3,9,11H2,1-2H3/t14-,15-,16?,17?/m1/s1