sodium (2S)-2-[8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxidanyl-butanoate

Systemtic Name: sodium (2S)-2-[8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxidanyl-butanoate Openeye Name: sodium (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate CAS Name: sodium (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate IUPAC Name: sodium (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate Traditional Name: sodium (2S)-2-hydroxy-2-(9-keto-8-methylol-11H-indolizino[1,2-b]quinolin-7-yl)butyrate Formula: C20H17N2NaO5 MolecularWeight: 388.34915

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)(C(=O)[O-])O.[Na+]

Isomeric SMILES

CC[C@](C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)(C(=O)[O-])O.[Na+]

InChI

InChI=1S/C20H18N2O5.Na/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17;/h3-8,23,27H,2,9-10H2,1H3,(H,25,26);/q;+1/p-1/t20-;/m0./s1