phenethyl 2-methyl-4-oxidanylidene-3-pentyl-cyclopentene-1-carboxylate

Systemtic Name: phenethyl 2-methyl-4-oxidanylidene-3-pentyl-cyclopentene-1-carboxylate Openeye Name: phenethyl 2-methyl-4-oxo-3-pentyl-cyclopentene-1-carboxylate CAS Name: 2-methyl-4-oxo-3-pentyl-1-cyclopentenecarboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methyl-4-oxo-3-pentylcyclopentene-1-carboxylate Traditional Name: 3-amyl-4-keto-2-methyl-cyclopentene-1-carboxylic acid phenethyl ester Formula: C20H26O3 MolecularWeight: 314.41864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=C(CC1=O)C(=O)OCCC2=CC=CC=C2)C

Isomeric SMILES

CCCCCC1C(=C(CC1=O)C(=O)OCCC2=CC=CC=C2)C

InChI

InChI=1S/C20H26O3/c1-3-4-6-11-17-15(2)18(14-19(17)21)20(22)23-13-12-16-9-7-5-8-10-16/h5,7-10,17H,3-4,6,11-14H2,1-2H3