3-[2-azanyl-4-(trifluoromethyl)phenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 3-[2-azanyl-4-(trifluoromethyl)phenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 3-[2-amino-4-(trifluoromethyl)phenoxy]-2-(tert-butoxycarbonylamino)butanoic acid CAS Name: 3-[2-amino-4-(trifluoromethyl)phenoxy]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-[2-amino-4-(trifluoromethyl)phenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 3-[2-amino-4-(trifluoromethyl)phenoxy]-2-(tert-butoxycarbonylamino)butyric acid Formula: C16H21F3N2O5 MolecularWeight: 378.34355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)OC(C)(C)C)OC1=C(C=C(C=C1)C(F)(F)F)N

Isomeric SMILES

CC(C(C(=O)O)NC(=O)OC(C)(C)C)OC1=C(C=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C16H21F3N2O5/c1-8(12(13(22)23)21-14(24)26-15(2,3)4)25-11-6-5-9(7-10(11)20)16(17,18)19/h5-8,12H,20H2,1-4H3,(H,21,24)(H,22,23)