pyridin-3-yl 2-(2-fluoranyl-4-heptoxy-phenyl)nonanoate

Systemtic Name: pyridin-3-yl 2-(2-fluoranyl-4-heptoxy-phenyl)nonanoate Openeye Name: 3-pyridyl 2-(2-fluoro-4-heptoxy-phenyl)nonanoate CAS Name: 2-(2-fluoro-4-heptoxyphenyl)nonanoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 2-(2-fluoro-4-heptoxyphenyl)nonanoate Traditional Name: 2-(2-fluoro-4-heptoxy-phenyl)pelargonic acid 3-pyridyl ester Formula: C27H38FNO3 MolecularWeight: 443.593923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1=C(C=C(C=C1)OCCCCCCC)F)C(=O)OC2=CN=CC=C2

Isomeric SMILES

CCCCCCCC(C1=C(C=C(C=C1)OCCCCCCC)F)C(=O)OC2=CN=CC=C2

InChI

InChI=1S/C27H38FNO3/c1-3-5-7-9-11-15-25(27(30)32-23-14-13-18-29-21-23)24-17-16-22(20-26(24)28)31-19-12-10-8-6-4-2/h13-14,16-18,20-21,25H,3-12,15,19H2,1-2H3