3-[8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-3-oxidanyl-pentanoic acid

Systemtic Name: 3-[8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-3-oxidanyl-pentanoic acid Openeye Name: 3-hydroxy-3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid CAS Name: 3-hydroxy-3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid IUPAC Name: 3-hydroxy-3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid Traditional Name: 3-hydroxy-3-(9-keto-8-methylol-11H-indolizino[1,2-b]quinolin-7-yl)valeric acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)(C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)O

Isomeric SMILES

CCC(CC(=O)O)(C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)O

InChI

InChI=1S/C21H20N2O5/c1-2-21(28,9-18(25)26)15-8-17-19-13(10-23(17)20(27)14(15)11-24)7-12-5-3-4-6-16(12)22-19/h3-8,24,28H,2,9-11H2,1H3,(H,25,26)