methyl (2S)-3-[2-cyclobutyl-3-(phenylmethyl)imidazol-4-yl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-[2-cyclobutyl-3-(phenylmethyl)imidazol-4-yl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-(3-benzyl-2-cyclobutyl-imidazol-4-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate CAS Name: (2S)-3-[2-cyclobutyl-3-(phenylmethyl)-4-imidazolyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-benzyl-2-cyclobutylimidazol-4-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate Traditional Name: (2S)-3-(3-benzyl-2-cyclobutyl-imidazol-4-yl)-2-[(2,2,2-trifluoroacetyl)amino]propionic acid methyl ester Formula: C20H22F3N3O3 MolecularWeight: 409.40219

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=C(N1CC2=CC=CC=C2)C3CCC3)NC(=O)C(F)(F)F

Isomeric SMILES

COC(=O)[C@H](CC1=CN=C(N1CC2=CC=CC=C2)C3CCC3)NC(=O)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O3/c1-29-18(27)16(25-19(28)20(21,22)23)10-15-11-24-17(14-8-5-9-14)26(15)12-13-6-3-2-4-7-13/h2-4,6-7,11,14,16H,5,8-10,12H2,1H3,(H,25,28)/t16-/m0/s1