4-butyl-6-[[(2,5-dimethylphenyl)amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one hydrochloride

Systemtic Name: 4-butyl-6-[[(2,5-dimethylphenyl)amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one hydrochloride Openeye Name: 4-butyl-6-[(2,5-dimethylanilino)methyl]-7-hydroxy-8-methyl-chromen-2-one hydrochloride CAS Name: 4-butyl-6-[(2,5-dimethylanilino)methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one hydrochloride IUPAC Name: 4-butyl-6-[(2,5-dimethylanilino)methyl]-7-hydroxy-8-methylchromen-2-one hydrochloride Traditional Name: 4-butyl-6-[(2,5-dimethylanilino)methyl]-7-hydroxy-8-methyl-coumarin hydrochloride Formula: C23H28ClNO3 MolecularWeight: 401.92632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C(C(=C(C=C12)CNC3=C(C=CC(=C3)C)C)O)C.Cl

Isomeric SMILES

CCCCC1=CC(=O)OC2=C(C(=C(C=C12)CNC3=C(C=CC(=C3)C)C)O)C.Cl

InChI

InChI=1S/C23H27NO3.ClH/c1-5-6-7-17-12-21(25)27-23-16(4)22(26)18(11-19(17)23)13-24-20-10-14(2)8-9-15(20)3;/h8-12,24,26H,5-7,13H2,1-4H3;1H