sodium 5-[[5-chloranyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-3-carboxylate

Systemtic Name: sodium 5-[[5-chloranyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-3-carboxylate Openeye Name: sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-3-carboxylate CAS Name: sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-pyridinecarboxylate IUPAC Name: sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-3-carboxylate Traditional Name: sodium 5-[5-chloro-2-(4-fluorobenzyl)oxy-benzyl]nicotinate Formula: C20H14ClFNNaO3 MolecularWeight: 393.771233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)CC3=CN=CC(=C3)C(=O)[O-])F.[Na+]

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)CC3=CN=CC(=C3)C(=O)[O-])F.[Na+]

InChI

InChI=1S/C20H15ClFNO3.Na/c21-17-3-6-19(26-12-13-1-4-18(22)5-2-13)15(9-17)7-14-8-16(20(24)25)11-23-10-14;/h1-6,8-11H,7,12H2,(H,24,25);/q;+1/p-1