(3S)-3-(4-methoxyphenyl)-3-[2,2,2-tris(fluoranyl)ethanoylamino]propanoic acid

Systemtic Name: (3S)-3-(4-methoxyphenyl)-3-[2,2,2-tris(fluoranyl)ethanoylamino]propanoic acid Openeye Name: (3S)-3-(4-methoxyphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid CAS Name: (3S)-3-(4-methoxyphenyl)-3-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid IUPAC Name: (3S)-3-(4-methoxyphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid Traditional Name: (3S)-3-(4-methoxyphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propionic acid Formula: C12H12F3NO4 MolecularWeight: 291.22319

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)C(F)(F)F

InChI

InChI=1S/C12H12F3NO4/c1-20-8-4-2-7(3-5-8)9(6-10(17)18)16-11(19)12(13,14)15/h2-5,9H,6H2,1H3,(H,16,19)(H,17,18)/t9-/m0/s1