sodium 3-[5-(diphenylmethyl)oxy-2-(hydroxymethyl)-4-oxidanylidene-pyridin-1-yl]propanoate

Systemtic Name: sodium 3-[5-(diphenylmethyl)oxy-2-(hydroxymethyl)-4-oxidanylidene-pyridin-1-yl]propanoate Openeye Name: sodium 3-[5-benzhydryloxy-2-(hydroxymethyl)-4-oxo-1-pyridyl]propanoate CAS Name: sodium 3-[5-(diphenylmethyl)oxy-2-(hydroxymethyl)-4-oxo-1-pyridinyl]propanoate IUPAC Name: sodium 3-[5-benzhydryloxy-2-(hydroxymethyl)-4-oxopyridin-1-yl]propanoate Traditional Name: sodium 3-(5-benzhydryloxy-4-keto-2-methylol-1-pyridyl)propionate Formula: C22H20NNaO5 MolecularWeight: 401.38767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=CN(C(=CC3=O)CO)CCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=CN(C(=CC3=O)CO)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C22H21NO5.Na/c24-15-18-13-19(25)20(14-23(18)12-11-21(26)27)28-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h1-10,13-14,22,24H,11-12,15H2,(H,26,27);/q;+1/p-1