3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)chromen-4-one hydrochloride

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)chromen-4-one hydrochloride Openeye Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)chromen-4-one hydrochloride CAS Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-[2-hydroxy-3-(1-pyrrolidinyl)propoxy]-1-benzopyran-4-one hydrochloride IUPAC Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)chromen-4-one hydrochloride Traditional Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-(2-hydroxy-3-pyrrolidino-propoxy)chromone hydrochloride Formula: C24H27Cl2NO5 MolecularWeight: 480.38088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCC4)O.Cl

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCC4)O.Cl

InChI

InChI=1S/C24H26ClNO5.ClH/c1-15-9-19(10-16(2)23(15)25)31-22-14-30-21-11-18(5-6-20(21)24(22)28)29-13-17(27)12-26-7-3-4-8-26;/h5-6,9-11,14,17,27H,3-4,7-8,12-13H2,1-2H3;1H