8-(dimethylaminomethyl)-3-(3,5-dimethylphenoxy)-6-hexyl-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 8-(dimethylaminomethyl)-3-(3,5-dimethylphenoxy)-6-hexyl-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(dimethylaminomethyl)-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(dimethylaminomethyl)-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(dimethylaminomethyl)-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(dimethylaminomethyl)-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromone Formula: C27H32F3NO4 MolecularWeight: 491.54249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)CN(C)C)O

Isomeric SMILES

CCCCCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)CN(C)C)O

InChI

InChI=1S/C27H32F3NO4/c1-6-7-8-9-10-18-14-20-23(33)25(34-19-12-16(2)11-17(3)13-19)26(27(28,29)30)35-24(20)21(22(18)32)15-31(4)5/h11-14,32H,6-10,15H2,1-5H3