sodium (2S)-2-[12-ethyl-8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxidanyl-butanoate

Systemtic Name: sodium (2S)-2-[12-ethyl-8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxidanyl-butanoate Openeye Name: sodium (2S)-2-[12-ethyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxy-butanoate CAS Name: sodium (2S)-2-[12-ethyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate IUPAC Name: sodium (2S)-2-[12-ethyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate Traditional Name: sodium (2S)-2-(12-ethyl-9-keto-8-methylol-11H-indolizino[1,2-b]quinolin-7-yl)-2-hydroxy-butyrate Formula: C22H21N2NaO5 MolecularWeight: 416.40231

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CN3C(=CC(=C(C3=O)CO)C(CC)(C(=O)[O-])O)C2=NC4=CC=CC=C41.[Na+]

Isomeric SMILES

CCC1=C2CN3C(=CC(=C(C3=O)CO)[C@@](CC)(C(=O)[O-])O)C2=NC4=CC=CC=C41.[Na+]

InChI

InChI=1S/C22H22N2O5.Na/c1-3-12-13-7-5-6-8-17(13)23-19-14(12)10-24-18(19)9-16(15(11-25)20(24)26)22(29,4-2)21(27)28;/h5-9,25,29H,3-4,10-11H2,1-2H3,(H,27,28);/q;+1/p-1/t22-;/m0./s1