methyl (2R)-2-(8-azanylquinolin-5-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate

Systemtic Name: methyl (2R)-2-(8-azanylquinolin-5-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: methyl (2R)-2-(8-amino-5-quinolyl)-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: (2R)-2-(8-amino-5-quinolinyl)-3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2R)-2-(8-aminoquinolin-5-yl)-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: (2R)-2-(8-amino-5-quinolyl)-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester Formula: C13H11F3N2O3 MolecularWeight: 300.23325

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C2C=CC=NC2=C(C=C1)N)(C(F)(F)F)O

Isomeric SMILES

COC(=O)[C@](C1=C2C=CC=NC2=C(C=C1)N)(C(F)(F)F)O

InChI

InChI=1S/C13H11F3N2O3/c1-21-11(19)12(20,13(14,15)16)8-4-5-9(17)10-7(8)3-2-6-18-10/h2-6,20H,17H2,1H3/t12-/m1/s1