sodium 4-[8-(5-fluoranyl-2-methoxy-phenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate

Systemtic Name: sodium 4-[8-(5-fluoranyl-2-methoxy-phenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate Openeye Name: sodium 4-[8-(5-fluoro-2-methoxy-phenyl)-1,7-naphthyridin-6-yl]cyclohexanecarboxylate CAS Name: sodium 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]-1-cyclohexanecarboxylate IUPAC Name: sodium 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate Traditional Name: sodium 4-[8-(5-fluoro-2-methoxy-phenyl)-1,7-naphthyridin-6-yl]cyclohexanecarboxylate Formula: C22H20FN2NaO3 MolecularWeight: 402.393973

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C2=C3C(=CC(=N2)C4CCC(CC4)C(=O)[O-])C=CC=N3.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)F)C2=C3C(=CC(=N2)C4CCC(CC4)C(=O)[O-])C=CC=N3.[Na+]

InChI

InChI=1S/C22H21FN2O3.Na/c1-28-19-9-8-16(23)12-17(19)21-20-15(3-2-10-24-20)11-18(25-21)13-4-6-14(7-5-13)22(26)27;/h2-3,8-14H,4-7H2,1H3,(H,26,27);/q;+1/p-1