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

Systemtic Name: 3-(3,5-dimethylphenoxy)-7-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)chromen-4-one hydrochloride Openeye Name: 3-(3,5-dimethylphenoxy)-7-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)chromen-4-one hydrochloride CAS Name: 3-(3,5-dimethylphenoxy)-7-[2-hydroxy-3-(1-pyrrolidinyl)propoxy]-1-benzopyran-4-one hydrochloride IUPAC Name: 3-(3,5-dimethylphenoxy)-7-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)chromen-4-one hydrochloride Traditional Name: 3-(3,5-dimethylphenoxy)-7-(2-hydroxy-3-pyrrolidino-propoxy)chromone hydrochloride Formula: C24H28ClNO5 MolecularWeight: 445.93582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCC4)O)C.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCC4)O)C.Cl

InChI

InChI=1S/C24H27NO5.ClH/c1-16-9-17(2)11-20(10-16)30-23-15-29-22-12-19(5-6-21(22)24(23)27)28-14-18(26)13-25-7-3-4-8-25;/h5-6,9-12,15,18,26H,3-4,7-8,13-14H2,1-2H3;1H