7-oxidanyl-8-[[(4-phenylmethoxyphenyl)amino]methyl]-4-propyl-chromen-2-one hydrochloride

Systemtic Name: 7-oxidanyl-8-[[(4-phenylmethoxyphenyl)amino]methyl]-4-propyl-chromen-2-one hydrochloride Openeye Name: 8-[(4-benzyloxyanilino)methyl]-7-hydroxy-4-propyl-chromen-2-one hydrochloride CAS Name: 7-hydroxy-8-[(4-phenylmethoxyanilino)methyl]-4-propyl-1-benzopyran-2-one hydrochloride IUPAC Name: 7-hydroxy-8-[(4-phenylmethoxyanilino)methyl]-4-propylchromen-2-one hydrochloride Traditional Name: 8-[(4-benzoxyanilino)methyl]-7-hydroxy-4-propyl-coumarin hydrochloride Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2CNC3=CC=C(C=C3)OCC4=CC=CC=C4)O.Cl

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2CNC3=CC=C(C=C3)OCC4=CC=CC=C4)O.Cl

InChI

InChI=1S/C26H25NO4.ClH/c1-2-6-19-15-25(29)31-26-22(19)13-14-24(28)23(26)16-27-20-9-11-21(12-10-20)30-17-18-7-4-3-5-8-18;/h3-5,7-15,27-28H,2,6,16-17H2,1H3;1H