8-(dimethylaminomethyl)-7-oxidanyl-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one hydrochloride

Systemtic Name: 8-(dimethylaminomethyl)-7-oxidanyl-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one hydrochloride Openeye Name: 8-(dimethylaminomethyl)-7-hydroxy-3-(4-isopropylphenoxy)-2-(trifluoromethyl)chromen-4-one hydrochloride CAS Name: 8-(dimethylaminomethyl)-7-hydroxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one hydrochloride IUPAC Name: 8-(dimethylaminomethyl)-7-hydroxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one hydrochloride Traditional Name: 8-(dimethylaminomethyl)-7-hydroxy-3-(4-isopropylphenoxy)-2-(trifluoromethyl)chromone hydrochloride Formula: C22H23ClF3NO4 MolecularWeight: 457.87053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN(C)C)O)C(F)(F)F.Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN(C)C)O)C(F)(F)F.Cl

InChI

InChI=1S/C22H22F3NO4.ClH/c1-12(2)13-5-7-14(8-6-13)29-20-18(28)15-9-10-17(27)16(11-26(3)4)19(15)30-21(20)22(23,24)25;/h5-10,12,27H,11H2,1-4H3;1H