dimethyl 4-(3-bromanyl-4-methoxy-phenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(3-bromanyl-4-methoxy-phenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-bromo-4-methoxy-phenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-bromo-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-1-(4-fluorobenzyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C23H21BrFNO5 MolecularWeight: 490.318943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)F)C(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)F)C(=O)OC)Br

InChI

InChI=1S/C23H21BrFNO5/c1-29-20-9-6-15(10-19(20)24)21-17(22(27)30-2)12-26(13-18(21)23(28)31-3)11-14-4-7-16(25)8-5-14/h4-10,12-13,21H,11H2,1-3H3