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

Systemtic Name: 8-[[(4-ethoxyphenyl)amino]methyl]-7-oxidanyl-4-propyl-chromen-2-one hydrochloride Openeye Name: 8-[(4-ethoxyanilino)methyl]-7-hydroxy-4-propyl-chromen-2-one hydrochloride CAS Name: 8-[(4-ethoxyanilino)methyl]-7-hydroxy-4-propyl-1-benzopyran-2-one hydrochloride IUPAC Name: 8-[(4-ethoxyanilino)methyl]-7-hydroxy-4-propylchromen-2-one hydrochloride Traditional Name: 7-hydroxy-8-(p-phenetidinomethyl)-4-propyl-coumarin hydrochloride Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4.ClH/c1-3-5-14-12-20(24)26-21-17(14)10-11-19(23)18(21)13-22-15-6-8-16(9-7-15)25-4-2;/h6-12,22-23H,3-5,13H2,1-2H3;1H