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

Systemtic Name: dimethyl 4-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromophenyl)-1-(4-fluorobenzyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C22H19BrFNO4 MolecularWeight: 460.292963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)Br)C(=O)OC)CC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)Br)C(=O)OC)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H19BrFNO4/c1-28-21(26)18-12-25(11-14-6-8-17(24)9-7-14)13-19(22(27)29-2)20(18)15-4-3-5-16(23)10-15/h3-10,12-13,20H,11H2,1-2H3