[4-(5-decyl-1,3,4-oxadiazol-2-yl)phenyl] 3-fluoranyl-4-octoxy-benzoate

Systemtic Name: [4-(5-decyl-1,3,4-oxadiazol-2-yl)phenyl] 3-fluoranyl-4-octoxy-benzoate Openeye Name: [4-(5-decyl-1,3,4-oxadiazol-2-yl)phenyl] 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid [4-(5-decyl-1,3,4-oxadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-decyl-1,3,4-oxadiazol-2-yl)phenyl] 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid [4-(5-decyl-1,3,4-oxadiazol-2-yl)phenyl] ester Formula: C33H45FN2O4 MolecularWeight: 552.719803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NN=C(O1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=NN=C(O1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCCC)F

InChI

InChI=1S/C33H45FN2O4/c1-3-5-7-9-11-12-13-15-17-31-35-36-32(40-31)26-18-21-28(22-19-26)39-33(37)27-20-23-30(29(34)25-27)38-24-16-14-10-8-6-4-2/h18-23,25H,3-17,24H2,1-2H3