3-(4-tert-butylphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(4-tert-butylphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-(1-pyrrolidinylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-(pyrrolidinomethyl)-2-(trifluoromethyl)chromone Formula: C25H26F3NO4 MolecularWeight: 461.47345

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCC4)O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCC4)O)C(F)(F)F

InChI

InChI=1S/C25H26F3NO4/c1-24(2,3)15-6-8-16(9-7-15)32-22-20(31)17-10-11-19(30)18(14-29-12-4-5-13-29)21(17)33-23(22)25(26,27)28/h6-11,30H,4-5,12-14H2,1-3H3