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

Systemtic Name: 4-butyl-7-oxidanyl-8-[[(4-phenoxyphenyl)amino]methyl]chromen-2-one hydrochloride Openeye Name: 4-butyl-7-hydroxy-8-[(4-phenoxyanilino)methyl]chromen-2-one hydrochloride CAS Name: 4-butyl-7-hydroxy-8-[(4-phenoxyanilino)methyl]-1-benzopyran-2-one hydrochloride IUPAC Name: 4-butyl-7-hydroxy-8-[(4-phenoxyanilino)methyl]chromen-2-one hydrochloride Traditional Name: 4-butyl-7-hydroxy-8-[(4-phenoxyanilino)methyl]coumarin hydrochloride Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2CNC3=CC=C(C=C3)OC4=CC=CC=C4)O.Cl

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2CNC3=CC=C(C=C3)OC4=CC=CC=C4)O.Cl

InChI

InChI=1S/C26H25NO4.ClH/c1-2-3-7-18-16-25(29)31-26-22(18)14-15-24(28)23(26)17-27-19-10-12-21(13-11-19)30-20-8-5-4-6-9-20;/h4-6,8-16,27-28H,2-3,7,17H2,1H3;1H