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

Systemtic Name: 3-(3,5-dimethylphenoxy)-6-hexyl-8-[(2-methylpiperidin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-[(2-methyl-1-piperidyl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-[(2-methyl-1-piperidinyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-[(2-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)CN4CCCCC4C)O

Isomeric SMILES

CCCCCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)CN4CCCCC4C)O

InChI

InChI=1S/C31H38F3NO4/c1-5-6-7-8-12-22-17-24-27(37)29(38-23-15-19(2)14-20(3)16-23)30(31(32,33)34)39-28(24)25(26(22)36)18-35-13-10-9-11-21(35)4/h14-17,21,36H,5-13,18H2,1-4H3