6,7-dimethyl-4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]coumarin Formula: C21H20F3NO2 MolecularWeight: 375.38421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCCC3=CC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCCC3=CC=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C21H20F3NO2/c1-13-9-18-16(11-20(26)27-19(18)10-14(13)2)12-25-8-7-15-3-5-17(6-4-15)21(22,23)24/h3-6,9-11,25H,7-8,12H2,1-2H3