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

Systemtic Name: [6-[2-(4-fluorophenyl)ethyl]pyridin-3-yl] 4-hexylbenzoate Openeye Name: [6-[2-(4-fluorophenyl)ethyl]-3-pyridyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-fluorophenyl)ethyl]pyridin-3-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [6-[2-(4-fluorophenyl)ethyl]-3-pyridyl] ester Formula: C26H28FNO2 MolecularWeight: 405.504423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C26H28FNO2/c1-2-3-4-5-6-20-7-12-22(13-8-20)26(29)30-25-18-17-24(28-19-25)16-11-21-9-14-23(27)15-10-21/h7-10,12-15,17-19H,2-6,11,16H2,1H3