dimethyl 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C23H20FNO6 MolecularWeight: 425.406403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)CC4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FNO6/c1-28-22(26)17-11-25(10-14-3-6-16(24)7-4-14)12-18(23(27)29-2)21(17)15-5-8-19-20(9-15)31-13-30-19/h3-9,11-12,21H,10,13H2,1-2H3