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

Systemtic Name: diethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-(4-fluorobenzyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C26H27BrFNO6 MolecularWeight: 548.398083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OCC)CC3=CC=C(C=C3)F)C(=O)OCC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OCC)CC3=CC=C(C=C3)F)C(=O)OCC)Br)O

InChI

InChI=1S/C26H27BrFNO6/c1-4-33-22-12-17(11-21(27)24(22)30)23-19(25(31)34-5-2)14-29(15-20(23)26(32)35-6-3)13-16-7-9-18(28)10-8-16/h7-12,14-15,23,30H,4-6,13H2,1-3H3