phenyl 4-(4-pentylcyclohexen-1-yl)butanoate

Systemtic Name: phenyl 4-(4-pentylcyclohexen-1-yl)butanoate Openeye Name: phenyl 4-(4-pentylcyclohexen-1-yl)butanoate CAS Name: 4-(4-pentyl-1-cyclohexenyl)butanoic acid phenyl ester IUPAC Name: phenyl 4-(4-pentylcyclohexen-1-yl)butanoate Traditional Name: 4-(4-amylcyclohexen-1-yl)butyric acid phenyl ester Formula: C21H30O2 MolecularWeight: 314.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(=CC1)CCCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCC1CCC(=CC1)CCCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H30O2/c1-2-3-5-9-18-14-16-19(17-15-18)10-8-13-21(22)23-20-11-6-4-7-12-20/h4,6-7,11-12,16,18H,2-3,5,8-10,13-15,17H2,1H3