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

Systemtic Name: tert-butyl 3-[8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-3-oxidanyl-pentanoate Openeye Name: tert-butyl 3-hydroxy-3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoate CAS Name: 3-hydroxy-3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-hydroxy-3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoate Traditional Name: 3-hydroxy-3-(9-keto-8-methylol-11H-indolizino[1,2-b]quinolin-7-yl)valeric acid tert-butyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5/c1-5-25(31,12-21(29)32-24(2,3)4)18-11-20-22-16(13-27(20)23(30)17(18)14-28)10-15-8-6-7-9-19(15)26-22/h6-11,28,31H,5,12-14H2,1-4H3