3-(3,5-dimethylphenoxy)-6-hexyl-8-[(3-methylpiperidin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-6-hexyl-8-[(3-methylpiperidin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-[(3-methyl-1-piperidyl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-[(3-methyl-1-piperidinyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-[(3-methylpiperidino)methyl]-2-(trifluoromethyl)chromone Formula: C31H38F3NO4 MolecularWeight: 545.63293

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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)CN4CCCC(C4)C)O

Isomeric SMILES

CCCCCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)CN4CCCC(C4)C)O

InChI

InChI=1S/C31H38F3NO4/c1-5-6-7-8-11-22-16-24-27(37)29(38-23-14-20(3)13-21(4)15-23)30(31(32,33)34)39-28(24)25(26(22)36)18-35-12-9-10-19(2)17-35/h13-16,19,36H,5-12,17-18H2,1-4H3