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

Systemtic Name: [6-[2-(4-fluorophenyl)ethyl]pyridin-3-yl] 4-octylbenzoate Openeye Name: [6-[2-(4-fluorophenyl)ethyl]-3-pyridyl] 4-octylbenzoate CAS Name: 4-octylbenzoic acid [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-fluorophenyl)ethyl]pyridin-3-yl] 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [6-[2-(4-fluorophenyl)ethyl]-3-pyridyl] ester Formula: C28H32FNO2 MolecularWeight: 433.557583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C28H32FNO2/c1-2-3-4-5-6-7-8-22-9-14-24(15-10-22)28(31)32-27-20-19-26(30-21-27)18-13-23-11-16-25(29)17-12-23/h9-12,14-17,19-21H,2-8,13,18H2,1H3