(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 6-methylpyridine-3-carboxylate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 6-methylpyridine-3-carboxylate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H18FNO4 MolecularWeight: 379.381023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

InChI

InChI=1S/C22H18FNO4/c1-14-7-8-16(11-24-14)21(25)26-12-17-9-19(23)10-18-13-27-22(28-20(17)18)15-5-3-2-4-6-15/h2-11,22H,12-13H2,1H3