dimethyl 4-(2-butoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(2-butoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(2-butoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(2-butoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(2-butoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(2-butoxyphenyl)-1-(4-fluorobenzyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C26H28FNO5 MolecularWeight: 453.502623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC=C1C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C26H28FNO5/c1-4-5-14-33-23-9-7-6-8-20(23)24-21(25(29)31-2)16-28(17-22(24)26(30)32-3)15-18-10-12-19(27)13-11-18/h6-13,16-17,24H,4-5,14-15H2,1-3H3