6-[[(2-chloranyl-6-fluoranyl-phenyl)methylamino]methyl]-8-methyl-7-oxidanyl-4-propyl-chromen-2-one hydrochloride

Systemtic Name: 6-[[(2-chloranyl-6-fluoranyl-phenyl)methylamino]methyl]-8-methyl-7-oxidanyl-4-propyl-chromen-2-one hydrochloride Openeye Name: 6-[[(2-chloro-6-fluoro-phenyl)methylamino]methyl]-7-hydroxy-8-methyl-4-propyl-chromen-2-one hydrochloride CAS Name: 6-[[(2-chloro-6-fluorophenyl)methylamino]methyl]-7-hydroxy-8-methyl-4-propyl-1-benzopyran-2-one hydrochloride IUPAC Name: 6-[[(2-chloro-6-fluorophenyl)methylamino]methyl]-7-hydroxy-8-methyl-4-propylchromen-2-one hydrochloride Traditional Name: 6-[[(2-chloro-6-fluoro-benzyl)amino]methyl]-7-hydroxy-8-methyl-4-propyl-coumarin hydrochloride Formula: C21H22Cl2FNO3 MolecularWeight: 426.308683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)CNCC3=C(C=CC=C3Cl)F)O)C.Cl

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)CNCC3=C(C=CC=C3Cl)F)O)C.Cl

InChI

InChI=1S/C21H21ClFNO3.ClH/c1-3-5-13-9-19(25)27-21-12(2)20(26)14(8-15(13)21)10-24-11-16-17(22)6-4-7-18(16)23;/h4,6-9,24,26H,3,5,10-11H2,1-2H3;1H