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

Systemtic Name: sodium 6-[[5-chloranyl-2-(cyclopropylmethoxy)phenyl]methyl]pyridine-2-carboxylate Openeye Name: sodium 6-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]pyridine-2-carboxylate CAS Name: sodium 6-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]pyridine-2-carboxylate Traditional Name: sodium 6-[5-chloro-2-(cyclopropylmethoxy)benzyl]picolinate Formula: C17H15ClNNaO3 MolecularWeight: 339.74867

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2=C(C=C(C=C2)Cl)CC3=CC=CC(=N3)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC1COC2=C(C=C(C=C2)Cl)CC3=CC=CC(=N3)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H16ClNO3.Na/c18-13-6-7-16(22-10-11-4-5-11)12(8-13)9-14-2-1-3-15(19-14)17(20)21;/h1-3,6-8,11H,4-5,9-10H2,(H,20,21);/q;+1/p-1