[6-[2-(4-fluorophenyl)ethyl]pyridin-3-yl] 4-heptylbenzoate

Systemtic Name: [6-[2-(4-fluorophenyl)ethyl]pyridin-3-yl] 4-heptylbenzoate Openeye Name: [6-[2-(4-fluorophenyl)ethyl]-3-pyridyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-fluorophenyl)ethyl]pyridin-3-yl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [6-[2-(4-fluorophenyl)ethyl]-3-pyridyl] ester Formula: C27H30FNO2 MolecularWeight: 419.531003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C27H30FNO2/c1-2-3-4-5-6-7-21-8-13-23(14-9-21)27(30)31-26-19-18-25(29-20-26)17-12-22-10-15-24(28)16-11-22/h8-11,13-16,18-20H,2-7,12,17H2,1H3