4-butyl-8-[[(2,5-dimethylphenyl)amino]methyl]-7-oxidanyl-chromen-2-one hydrochloride

Systemtic Name: 4-butyl-8-[[(2,5-dimethylphenyl)amino]methyl]-7-oxidanyl-chromen-2-one hydrochloride Openeye Name: 4-butyl-8-[(2,5-dimethylanilino)methyl]-7-hydroxy-chromen-2-one hydrochloride CAS Name: 4-butyl-8-[(2,5-dimethylanilino)methyl]-7-hydroxy-1-benzopyran-2-one hydrochloride IUPAC Name: 4-butyl-8-[(2,5-dimethylanilino)methyl]-7-hydroxychromen-2-one hydrochloride Traditional Name: 4-butyl-8-[(2,5-dimethylanilino)methyl]-7-hydroxy-coumarin hydrochloride Formula: C22H26ClNO3 MolecularWeight: 387.89974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2CNC3=C(C=CC(=C3)C)C)O.Cl

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2CNC3=C(C=CC(=C3)C)C)O.Cl

InChI

InChI=1S/C22H25NO3.ClH/c1-4-5-6-16-12-21(25)26-22-17(16)9-10-20(24)18(22)13-23-19-11-14(2)7-8-15(19)3;/h7-12,23-24H,4-6,13H2,1-3H3;1H