4-[[[4-[bis(fluoranyl)methoxy]phenyl]methyl-methyl-amino]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[[4-[bis(fluoranyl)methoxy]phenyl]methyl-methyl-amino]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[[4-(difluoromethoxy)phenyl]methyl-methyl-amino]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[[4-(difluoromethoxy)benzyl]-methyl-amino]methyl]-7-ethyl-coumarin Formula: C21H21F2NO3 MolecularWeight: 373.393146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC=C(C=C3)OC(F)F

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C21H21F2NO3/c1-3-14-6-9-18-16(11-20(25)27-19(18)10-14)13-24(2)12-15-4-7-17(8-5-15)26-21(22)23/h4-11,21H,3,12-13H2,1-2H3