7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one hydrochloride

Systemtic Name: 7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one hydrochloride Openeye Name: 7-[2-hydroxy-3-(isopropylamino)propoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one hydrochloride CAS Name: 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-phenyl-2-(trifluoromethyl)-1-benzopyran-4-one hydrochloride IUPAC Name: 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one hydrochloride Traditional Name: 7-[2-hydroxy-3-(isopropylamino)propoxy]-3-phenyl-2-(trifluoromethyl)chromone hydrochloride Formula: C22H23ClF3NO4 MolecularWeight: 457.87053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=CC=C3)O.Cl

Isomeric SMILES

CC(C)NCC(COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C22H22F3NO4.ClH/c1-13(2)26-11-15(27)12-29-16-8-9-17-18(10-16)30-21(22(23,24)25)19(20(17)28)14-6-4-3-5-7-14;/h3-10,13,15,26-27H,11-12H2,1-2H3;1H