6-[3-[(4-ethoxyphenyl)methylamino]-2-oxidanyl-propoxy]-1H-quinolin-2-one hydrochloride

Systemtic Name: 6-[3-[(4-ethoxyphenyl)methylamino]-2-oxidanyl-propoxy]-1H-quinolin-2-one hydrochloride Openeye Name: 6-[3-[(4-ethoxyphenyl)methylamino]-2-hydroxy-propoxy]-1H-quinolin-2-one hydrochloride CAS Name: 6-[3-[(4-ethoxyphenyl)methylamino]-2-hydroxypropoxy]-1H-quinolin-2-one hydrochloride IUPAC Name: 6-[3-[(4-ethoxyphenyl)methylamino]-2-hydroxypropoxy]-1H-quinolin-2-one hydrochloride Traditional Name: 6-[3-[(4-ethoxybenzyl)amino]-2-hydroxy-propoxy]carbostyril hydrochloride Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNCC(COC2=CC3=C(C=C2)NC(=O)C=C3)O.Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)CNCC(COC2=CC3=C(C=C2)NC(=O)C=C3)O.Cl

InChI

InChI=1S/C21H24N2O4.ClH/c1-2-26-18-6-3-15(4-7-18)12-22-13-17(24)14-27-19-8-9-20-16(11-19)5-10-21(25)23-20;/h3-11,17,22,24H,2,12-14H2,1H3,(H,23,25);1H