tert-butyl 3-[12-ethyl-8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-3-oxidanyl-pentanoate

Systemtic Name: tert-butyl 3-[12-ethyl-8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-3-oxidanyl-pentanoate Openeye Name: tert-butyl 3-[12-ethyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-3-hydroxy-pentanoate CAS Name: 3-[12-ethyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-3-hydroxypentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[12-ethyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-3-hydroxypentanoate Traditional Name: 3-(12-ethyl-9-keto-8-methylol-11H-indolizino[1,2-b]quinolin-7-yl)-3-hydroxy-valeric acid tert-butyl ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CN3C(=CC(=C(C3=O)CO)C(CC)(CC(=O)OC(C)(C)C)O)C2=NC4=CC=CC=C41

Isomeric SMILES

CCC1=C2CN3C(=CC(=C(C3=O)CO)C(CC)(CC(=O)OC(C)(C)C)O)C2=NC4=CC=CC=C41

InChI

InChI=1S/C27H32N2O5/c1-6-16-17-10-8-9-11-21(17)28-24-18(16)14-29-22(24)12-20(19(15-30)25(29)32)27(33,7-2)13-23(31)34-26(3,4)5/h8-12,30,33H,6-7,13-15H2,1-5H3