ethyl (5E)-3-ethanoyl-4-ethyl-5-(phenylmethylidene)cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (5E)-3-ethanoyl-4-ethyl-5-(phenylmethylidene)cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (5E)-3-acetyl-5-benzylidene-4-ethyl-cyclohex-3-ene-1-carboxylate CAS Name: (5E)-3-acetyl-4-ethyl-5-(phenylmethylene)-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-3-acetyl-5-benzylidene-4-ethylcyclohex-3-ene-1-carboxylate Traditional Name: (5E)-3-acetyl-5-benzal-4-ethyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C20H24O3 MolecularWeight: 312.40276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CC(CC1=CC2=CC=CC=C2)C(=O)OCC)C(=O)C

Isomeric SMILES

CCC\1=C(CC(C/C1=C\C2=CC=CC=C2)C(=O)OCC)C(=O)C

InChI

InChI=1S/C20H24O3/c1-4-18-16(11-15-9-7-6-8-10-15)12-17(20(22)23-5-2)13-19(18)14(3)21/h6-11,17H,4-5,12-13H2,1-3H3/b16-11+