tert-butyl 3-oxidanyl-3-(4-oxidanylidene-6,7-dihydro-1H-indolizino[1,2-b]quinolin-2-yl)pentanoate

Systemtic Name: tert-butyl 3-oxidanyl-3-(4-oxidanylidene-6,7-dihydro-1H-indolizino[1,2-b]quinolin-2-yl)pentanoate Openeye Name: tert-butyl 3-hydroxy-3-(4-oxo-6,7-dihydro-1H-indolizino[1,2-b]quinolin-2-yl)pentanoate CAS Name: 3-hydroxy-3-(4-oxo-6,7-dihydro-1H-indolizino[1,2-b]quinolin-2-yl)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-hydroxy-3-(4-oxo-6,7-dihydro-1H-indolizino[1,2-b]quinolin-2-yl)pentanoate Traditional Name: 3-hydroxy-3-(4-keto-6,7-dihydro-1H-indolizino[1,2-b]quinolin-2-yl)valeric acid tert-butyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OC(C)(C)C)(C1=CC(=O)C2=NC3=C4CCC=CN4C=C3C=C2C1)O

Isomeric SMILES

CCC(CC(=O)OC(C)(C)C)(C1=CC(=O)C2=NC3=C4CCC=CN4C=C3C=C2C1)O

InChI

InChI=1S/C24H28N2O4/c1-5-24(29,13-20(28)30-23(2,3)4)17-11-15-10-16-14-26-9-7-6-8-18(26)21(16)25-22(15)19(27)12-17/h7,9-10,12,14,29H,5-6,8,11,13H2,1-4H3