methyl 2-fluoranyl-5-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)pyridin-4-yl]benzoate

Systemtic Name: methyl 2-fluoranyl-5-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)pyridin-4-yl]benzoate Openeye Name: methyl 2-fluoro-5-[3-(hydroxymethyl)-2,6-diisopropyl-5-pentyl-4-pyridyl]benzoate CAS Name: 2-fluoro-5-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-5-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)pyridin-4-yl]benzoate Traditional Name: 5-(3-amyl-2,6-diisopropyl-5-methylol-4-pyridyl)-2-fluoro-benzoic acid methyl ester Formula: C25H34FNO3 MolecularWeight: 415.540763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N=C1C(C)C)C(C)C)CO)C2=CC(=C(C=C2)F)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N=C1C(C)C)C(C)C)CO)C2=CC(=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C25H34FNO3/c1-7-8-9-10-18-22(17-11-12-21(26)19(13-17)25(29)30-6)20(14-28)24(16(4)5)27-23(18)15(2)3/h11-13,15-16,28H,7-10,14H2,1-6H3