phenyl 4-(4-heptan-2-ylcyclohexen-1-yl)butanoate

Systemtic Name: phenyl 4-(4-heptan-2-ylcyclohexen-1-yl)butanoate Openeye Name: phenyl 4-[4-(1-methylhexyl)cyclohexen-1-yl]butanoate CAS Name: 4-(4-heptan-2-yl-1-cyclohexenyl)butanoic acid phenyl ester IUPAC Name: phenyl 4-(4-heptan-2-ylcyclohexen-1-yl)butanoate Traditional Name: 4-[4-(1-methylhexyl)cyclohexen-1-yl]butyric acid phenyl ester Formula: C23H34O2 MolecularWeight: 342.51486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1CCC(=CC1)CCCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCC(C)C1CCC(=CC1)CCCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C23H34O2/c1-3-4-6-10-19(2)21-17-15-20(16-18-21)11-9-14-23(24)25-22-12-7-5-8-13-22/h5,7-8,12-13,15,19,21H,3-4,6,9-11,14,16-18H2,1-2H3