[4-(5-octylpyridin-2-yl)phenyl] 2,3-bis(fluoranyl)-4-octoxy-benzoate

Systemtic Name: [4-(5-octylpyridin-2-yl)phenyl] 2,3-bis(fluoranyl)-4-octoxy-benzoate Openeye Name: [4-(5-octyl-2-pyridyl)phenyl] 2,3-difluoro-4-octoxy-benzoate CAS Name: 2,3-difluoro-4-octoxybenzoic acid [4-(5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octylpyridin-2-yl)phenyl] 2,3-difluoro-4-octoxybenzoate Traditional Name: 2,3-difluoro-4-octoxy-benzoic acid [4-(5-octyl-2-pyridyl)phenyl] ester Formula: C34H43F2NO3 MolecularWeight: 551.706926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C(=C(C=C3)OCCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C(=C(C=C3)OCCCCCCCC)F)F

InChI

InChI=1S/C34H43F2NO3/c1-3-5-7-9-11-13-15-26-16-22-30(37-25-26)27-17-19-28(20-18-27)40-34(38)29-21-23-31(33(36)32(29)35)39-24-14-12-10-8-6-4-2/h16-23,25H,3-15,24H2,1-2H3