[2-oxidanylidene-5-[1-oxidanyl-2-(propan-2-ylamino)butyl]-1H-quinolin-8-yl] 3,3-dimethylbutanoate hydrochloride

Systemtic Name: [2-oxidanylidene-5-[1-oxidanyl-2-(propan-2-ylamino)butyl]-1H-quinolin-8-yl] 3,3-dimethylbutanoate hydrochloride Openeye Name: [5-[1-hydroxy-2-(isopropylamino)butyl]-2-oxo-1H-quinolin-8-yl] 3,3-dimethylbutanoate hydrochloride CAS Name: 3,3-dimethylbutanoic acid [5-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-oxo-1H-quinolin-8-yl] ester hydrochloride IUPAC Name: [5-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-oxo-1H-quinolin-8-yl] 3,3-dimethylbutanoate hydrochloride Traditional Name: 3,3-dimethylbutyric acid [5-[1-hydroxy-2-(isopropylamino)butyl]-2-keto-1H-quinolin-8-yl] ester hydrochloride Formula: C22H33ClN2O4 MolecularWeight: 424.96142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)CC(C)(C)C)O)NC(C)C.Cl

Isomeric SMILES

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)CC(C)(C)C)O)NC(C)C.Cl

InChI

InChI=1S/C22H32N2O4.ClH/c1-7-16(23-13(2)3)21(27)15-8-10-17(28-19(26)12-22(4,5)6)20-14(15)9-11-18(25)24-20;/h8-11,13,16,21,23,27H,7,12H2,1-6H3,(H,24,25);1H