[4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-azanyl-3-methyl-butanoate chloride

Systemtic Name: [4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-azanyl-3-methyl-butanoate chloride Openeye Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-amino-3-methyl-butanoate chloride CAS Name: 2-amino-3-methylbutanoic acid [4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-7-yl] ester chloride IUPAC Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-amino-3-methylbutanoate chloride Traditional Name: 2-amino-3-methyl-butyric acid [4-keto-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] ester chloride Formula: C21H18ClF3NO5- MolecularWeight: 456.81953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)N.[Cl-]

Isomeric SMILES

CC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)N.[Cl-]

InChI

InChI=1S/C21H18F3NO5.ClH/c1-11(2)16(25)20(27)29-13-8-9-14-15(10-13)30-19(21(22,23)24)18(17(14)26)28-12-6-4-3-5-7-12;/h3-11,16H,25H2,1-2H3;1H/p-1