[4,4,4-tris(fluoranyl)-2-methyl-3-oxidanylidene-butan-2-yl] 2-azanyl-3-(1H-indol-3-yl)propanoate

Systemtic Name: [4,4,4-tris(fluoranyl)-2-methyl-3-oxidanylidene-butan-2-yl] 2-azanyl-3-(1H-indol-3-yl)propanoate Openeye Name: (3,3,3-trifluoro-1,1-dimethyl-2-oxo-propyl) 2-amino-3-(1H-indol-3-yl)propanoate CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid (4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl) ester IUPAC Name: (4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl) 2-amino-3-(1H-indol-3-yl)propanoate Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid (3,3,3-trifluoro-2-keto-1,1-dimethyl-propyl) ester Formula: C16H17F3N2O3 MolecularWeight: 342.31299

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(F)(F)F)OC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

CC(C)(C(=O)C(F)(F)F)OC(=O)C(CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C16H17F3N2O3/c1-15(2,14(23)16(17,18)19)24-13(22)11(20)7-9-8-21-12-6-4-3-5-10(9)12/h3-6,8,11,21H,7,20H2,1-2H3