3-(4-acetyloxy-2,6-dimethyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(4-acetyloxy-2,6-dimethyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(4-acetoxy-2,6-dimethyl-phenyl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-(4-acetyloxy-2,6-dimethylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-acetyloxy-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(4-acetoxy-2,6-dimethyl-phenyl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)O)NC(=O)OC(C)(C)C)C)OC(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)O)NC(=O)OC(C)(C)C)C)OC(=O)C

InChI

InChI=1S/C18H25NO6/c1-10-7-13(24-12(3)20)8-11(2)14(10)9-15(16(21)22)19-17(23)25-18(4,5)6/h7-8,15H,9H2,1-6H3,(H,19,23)(H,21,22)