sodium 6-[(5-chloranyl-2-cyclopentyloxy-phenyl)methyl]pyridine-2-carboxylate

Systemtic Name: sodium 6-[(5-chloranyl-2-cyclopentyloxy-phenyl)methyl]pyridine-2-carboxylate Openeye Name: sodium 6-[[5-chloro-2-(cyclopentoxy)phenyl]methyl]pyridine-2-carboxylate CAS Name: sodium 6-[(5-chloro-2-cyclopentyloxyphenyl)methyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[(5-chloro-2-cyclopentyloxyphenyl)methyl]pyridine-2-carboxylate Traditional Name: sodium 6-[5-chloro-2-(cyclopentoxy)benzyl]picolinate Formula: C18H17ClNNaO3 MolecularWeight: 353.77525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=C(C=C(C=C2)Cl)CC3=CC=CC(=N3)C(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(C1)OC2=C(C=C(C=C2)Cl)CC3=CC=CC(=N3)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H18ClNO3.Na/c19-13-8-9-17(23-15-5-1-2-6-15)12(10-13)11-14-4-3-7-16(20-14)18(21)22;/h3-4,7-10,15H,1-2,5-6,11H2,(H,21,22);/q;+1/p-1