sodium 5-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]pyridine-3-carboxylate

Systemtic Name: sodium 5-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]pyridine-3-carboxylate Openeye Name: sodium 5-[(2-benzyloxy-5-chloro-phenyl)methyl]pyridine-3-carboxylate CAS Name: sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-3-pyridinecarboxylate IUPAC Name: sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-3-carboxylate Traditional Name: sodium 5-(2-benzoxy-5-chloro-benzyl)nicotinate Formula: C20H15ClNNaO3 MolecularWeight: 375.78077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=CN=CC(=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=CN=CC(=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H16ClNO3.Na/c21-18-6-7-19(25-13-14-4-2-1-3-5-14)16(10-18)8-15-9-17(20(23)24)12-22-11-15;/h1-7,9-12H,8,13H2,(H,23,24);/q;+1/p-1