diethyl 3-methylidene-4-[(E)-3-phenylprop-2-enyl]cyclohexane-1,1-dicarboxylate

Systemtic Name: diethyl 3-methylidene-4-[(E)-3-phenylprop-2-enyl]cyclohexane-1,1-dicarboxylate Openeye Name: diethyl 4-[(E)-cinnamyl]-3-methylene-cyclohexane-1,1-dicarboxylate CAS Name: 3-methylene-4-[(E)-3-phenylprop-2-enyl]cyclohexane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methylidene-4-[(E)-3-phenylprop-2-enyl]cyclohexane-1,1-dicarboxylate Traditional Name: 4-[(E)-cinnamyl]-3-methylene-cyclohexane-1,1-dicarboxylic acid diethyl ester Formula: C22H28O4 MolecularWeight: 356.45532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(C(=C)C1)CC=CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CCC(C(=C)C1)C/C=C/C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H28O4/c1-4-25-20(23)22(21(24)26-5-2)15-14-19(17(3)16-22)13-9-12-18-10-7-6-8-11-18/h6-12,19H,3-5,13-16H2,1-2H3/b12-9+