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

Systemtic Name: sodium 6-[2-[5-chloranyl-2-(cyclohexylmethoxy)phenyl]phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-[5-chloro-2-(cyclohexylmethoxy)phenyl]phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-[5-chloro-2-(cyclohexylmethoxy)phenyl]phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-[5-chloro-2-(cyclohexylmethoxy)phenyl]phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-[5-chloro-2-(cyclohexylmethoxy)phenyl]phenyl]picolinate Formula: C25H23ClNNaO3 MolecularWeight: 443.89779

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=C(C=C(C=C2)Cl)C3=CC=CC=C3C4=NC(=CC=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(CC1)COC2=C(C=C(C=C2)Cl)C3=CC=CC=C3C4=NC(=CC=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C25H24ClNO3.Na/c26-18-13-14-24(30-16-17-7-2-1-3-8-17)21(15-18)19-9-4-5-10-20(19)22-11-6-12-23(27-22)25(28)29;/h4-6,9-15,17H,1-3,7-8,16H2,(H,28,29);/q;+1/p-1