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

Systemtic Name: dimethyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(4-fluorobenzyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C23H21BrFNO6 MolecularWeight: 506.318343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrFNO6/c1-30-19-9-14(8-18(24)21(19)27)20-16(22(28)31-2)11-26(12-17(20)23(29)32-3)10-13-4-6-15(25)7-5-13/h4-9,11-12,20,27H,10H2,1-3H3