(2S)-2-[12-ethyl-9-(hydroxymethyl)-2-oxidanyl-10-oxidanylidene-6H-indolizino[2,3-b]quinolin-8-yl]-2-oxidanyl-butanoic acid

Systemtic Name: (2S)-2-[12-ethyl-9-(hydroxymethyl)-2-oxidanyl-10-oxidanylidene-6H-indolizino[2,3-b]quinolin-8-yl]-2-oxidanyl-butanoic acid Openeye Name: (2S)-2-[12-ethyl-2-hydroxy-9-(hydroxymethyl)-10-oxo-6H-indolizino[2,3-b]quinolin-8-yl]-2-hydroxy-butanoic acid CAS Name: (2S)-2-[12-ethyl-2-hydroxy-9-(hydroxymethyl)-10-oxo-6H-indolizino[2,3-b]quinolin-8-yl]-2-hydroxybutanoic acid IUPAC Name: (2S)-2-[12-ethyl-2-hydroxy-9-(hydroxymethyl)-10-oxo-6H-indolizino[2,3-b]quinolin-8-yl]-2-hydroxybutanoic acid Traditional Name: (2S)-2-(12-ethyl-2-hydroxy-10-keto-9-methylol-6H-indolizino[2,3-b]quinolin-8-yl)-2-hydroxy-butyric acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C(C=CC2=NC3=C1N4C(=CC(=C(C4=O)CO)C(CC)(C(=O)O)O)C3)O

Isomeric SMILES

CCC1=C2C=C(C=CC2=NC3=C1N4C(=CC(=C(C4=O)CO)[C@@](CC)(C(=O)O)O)C3)O

InChI

InChI=1S/C22H22N2O6/c1-3-13-14-9-12(26)5-6-17(14)23-18-8-11-7-16(22(30,4-2)21(28)29)15(10-25)20(27)24(11)19(13)18/h5-7,9,25-26,30H,3-4,8,10H2,1-2H3,(H,28,29)/t22-/m0/s1