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

Systemtic Name: sodium 4-[5-(diphenylmethyl)oxy-2-(hydroxymethyl)-4-oxidanylidene-pyridin-1-yl]butanoate Openeye Name: sodium 4-[5-benzhydryloxy-2-(hydroxymethyl)-4-oxo-1-pyridyl]butanoate CAS Name: sodium 4-[5-(diphenylmethyl)oxy-2-(hydroxymethyl)-4-oxo-1-pyridinyl]butanoate IUPAC Name: sodium 4-[5-benzhydryloxy-2-(hydroxymethyl)-4-oxopyridin-1-yl]butanoate Traditional Name: sodium 4-(5-benzhydryloxy-4-keto-2-methylol-1-pyridyl)butyrate Formula: C23H22NNaO5 MolecularWeight: 415.41425

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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)CCCC(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5.Na/c25-16-19-14-20(26)21(15-24(19)13-7-12-22(27)28)29-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18;/h1-6,8-11,14-15,23,25H,7,12-13,16H2,(H,27,28);/q;+1/p-1