3-(3,5-dimethylphenoxy)-6-hexyl-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-(1-pyrrolidinylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-(pyrrolidinomethyl)-2-(trifluoromethyl)chromone Formula: C29H34F3NO4 MolecularWeight: 517.57977

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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)CN4CCCC4)O

Isomeric SMILES

CCCCCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)CN4CCCC4)O

InChI

InChI=1S/C29H34F3NO4/c1-4-5-6-7-10-20-16-22-25(35)27(36-21-14-18(2)13-19(3)15-21)28(29(30,31)32)37-26(22)23(24(20)34)17-33-11-8-9-12-33/h13-16,34H,4-12,17H2,1-3H3