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

Systemtic Name: diethyl 4-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(3-bromo-4-ethoxy-5-methoxy-phenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-4-ethoxy-5-methoxy-phenyl)-1-(4-fluorobenzyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H29BrFNO6 MolecularWeight: 562.424663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C2C(=CN(C=C2C(=O)OCC)CC3=CC=C(C=C3)F)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C2C(=CN(C=C2C(=O)OCC)CC3=CC=C(C=C3)F)C(=O)OCC)OC

InChI

InChI=1S/C27H29BrFNO6/c1-5-34-25-22(28)12-18(13-23(25)33-4)24-20(26(31)35-6-2)15-30(16-21(24)27(32)36-7-3)14-17-8-10-19(29)11-9-17/h8-13,15-16,24H,5-7,14H2,1-4H3