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

Systemtic Name: [2-oxidanylidene-5-[1-oxidanyl-2-(propan-2-ylamino)butyl]-1H-quinolin-8-yl] 2,2-dimethylpropanoate hydrochloride Openeye Name: [5-[1-hydroxy-2-(isopropylamino)butyl]-2-oxo-1H-quinolin-8-yl] 2,2-dimethylpropanoate hydrochloride CAS Name: 2,2-dimethylpropanoic 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] 2,2-dimethylpropanoate hydrochloride Traditional Name: 2,2-dimethylpropionic acid [5-[1-hydroxy-2-(isopropylamino)butyl]-2-keto-1H-quinolin-8-yl] ester hydrochloride Formula: C21H31ClN2O4 MolecularWeight: 410.93484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4.ClH/c1-7-15(22-12(2)3)19(25)14-8-10-16(27-20(26)21(4,5)6)18-13(14)9-11-17(24)23-18;/h8-12,15,19,22,25H,7H2,1-6H3,(H,23,24);1H