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

Systemtic Name: 3-(3,5-dimethylphenoxy)-7-[3-(2-methylpiperidin-1-yl)-2-oxidanyl-propoxy]chromen-4-one hydrochloride Openeye Name: 3-(3,5-dimethylphenoxy)-7-[2-hydroxy-3-(2-methyl-1-piperidyl)propoxy]chromen-4-one hydrochloride CAS Name: 3-(3,5-dimethylphenoxy)-7-[2-hydroxy-3-(2-methyl-1-piperidinyl)propoxy]-1-benzopyran-4-one hydrochloride IUPAC Name: 3-(3,5-dimethylphenoxy)-7-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]chromen-4-one hydrochloride Traditional Name: 3-(3,5-dimethylphenoxy)-7-[2-hydroxy-3-(2-methylpiperidino)propoxy]chromone hydrochloride Formula: C26H32ClNO5 MolecularWeight: 473.98898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC(COC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=CC(=C4)C)C)O.Cl

Isomeric SMILES

CC1CCCCN1CC(COC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=CC(=C4)C)C)O.Cl

InChI

InChI=1S/C26H31NO5.ClH/c1-17-10-18(2)12-22(11-17)32-25-16-31-24-13-21(7-8-23(24)26(25)29)30-15-20(28)14-27-9-5-4-6-19(27)3;/h7-8,10-13,16,19-20,28H,4-6,9,14-15H2,1-3H3;1H