3-(1,3-benzodioxol-5-yl)-8-(dimethylaminomethyl)-7-oxidanyl-6-propyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-8-(dimethylaminomethyl)-7-oxidanyl-6-propyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-8-(dimethylaminomethyl)-7-hydroxy-6-propyl-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(1,3-benzodioxol-5-yl)-8-(dimethylaminomethyl)-7-hydroxy-6-propyl-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-8-(dimethylaminomethyl)-7-hydroxy-6-propyl-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-8-(dimethylaminomethyl)-7-hydroxy-6-propyl-2-(trifluoromethyl)chromone Formula: C23H22F3NO5 MolecularWeight: 449.41969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=C(C=C3)OCO4)CN(C)C)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=C(C=C3)OCO4)CN(C)C)O

InChI

InChI=1S/C23H22F3NO5/c1-4-5-13-8-14-20(29)18(12-6-7-16-17(9-12)31-11-30-16)22(23(24,25)26)32-21(14)15(19(13)28)10-27(2)3/h6-9,28H,4-5,10-11H2,1-3H3