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

Systemtic Name: sodium 6-[[5-chloranyl-2-(cyclohexylmethoxy)phenyl]methyl]pyridine-2-carboxylate Openeye Name: sodium 6-[[5-chloro-2-(cyclohexylmethoxy)phenyl]methyl]pyridine-2-carboxylate CAS Name: sodium 6-[[5-chloro-2-(cyclohexylmethoxy)phenyl]methyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[[5-chloro-2-(cyclohexylmethoxy)phenyl]methyl]pyridine-2-carboxylate Traditional Name: sodium 6-[5-chloro-2-(cyclohexylmethoxy)benzyl]picolinate Formula: C20H21ClNNaO3 MolecularWeight: 381.82841

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=C(C=C(C=C2)Cl)CC3=CC=CC(=N3)C(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(CC1)COC2=C(C=C(C=C2)Cl)CC3=CC=CC(=N3)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H22ClNO3.Na/c21-16-9-10-19(25-13-14-5-2-1-3-6-14)15(11-16)12-17-7-4-8-18(22-17)20(23)24;/h4,7-11,14H,1-3,5-6,12-13H2,(H,23,24);/q;+1/p-1