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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C=C(C(=O)C=C1CO)OC(C2=CC=CC=C2)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC(C(=O)[O-])N1C=C(C(=O)C=C1CO)OC(C2=CC=CC=C2)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C22H21NO5.Na/c1-15(22(26)27)23-13-20(19(25)12-18(23)14-24)28-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-13,15,21,24H,14H2,1H3,(H,26,27);/q;+1/p-1