3-(3,4-dimethoxyphenyl)-8-[(2-methylpropylamino)methyl]-7-oxidanyl-chromen-2-one hydrochloride

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(2-methylpropylamino)methyl]-7-oxidanyl-chromen-2-one hydrochloride Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(isobutylamino)methyl]chromen-2-one hydrochloride CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-methylpropylamino)methyl]-1-benzopyran-2-one hydrochloride IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-methylpropylamino)methyl]chromen-2-one hydrochloride Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(isobutylamino)methyl]coumarin hydrochloride Formula: C22H26ClNO5 MolecularWeight: 419.89854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=C(C=CC2=C1OC(=O)C(=C2)C3=CC(=C(C=C3)OC)OC)O.Cl

Isomeric SMILES

CC(C)CNCC1=C(C=CC2=C1OC(=O)C(=C2)C3=CC(=C(C=C3)OC)OC)O.Cl

InChI

InChI=1S/C22H25NO5.ClH/c1-13(2)11-23-12-17-18(24)7-5-15-9-16(22(25)28-21(15)17)14-6-8-19(26-3)20(10-14)27-4;/h5-10,13,23-24H,11-12H2,1-4H3;1H