4,8-dimethyl-3-(phenylmethyl)-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one

Systemtic Name: 4,8-dimethyl-3-(phenylmethyl)-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one Openeye Name: 3-benzyl-4,8-dimethyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one CAS Name: 4,8-dimethyl-3-(phenylmethyl)-7-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzopyran-2-one IUPAC Name: 3-benzyl-4,8-dimethyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one Traditional Name: 3-benzyl-4,8-dimethyl-7-[3-(trifluoromethyl)benzyl]oxy-coumarin Formula: C26H21F3O3 MolecularWeight: 438.43835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC(=CC=C3)C(F)(F)F)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC(=CC=C3)C(F)(F)F)CC4=CC=CC=C4

InChI

InChI=1S/C26H21F3O3/c1-16-21-11-12-23(31-15-19-9-6-10-20(13-19)26(27,28)29)17(2)24(21)32-25(30)22(16)14-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3