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

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,6-trimethyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(4-hydroxy-2,3,6-trimethyl-phenyl)propanoic acid CAS Name: 3-(4-hydroxy-2,3,6-trimethylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxy-2,3,6-trimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-hydroxy-2,3,6-trimethyl-phenyl)propionic acid Formula: C17H25NO5 MolecularWeight: 323.3841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5/c1-9-7-14(19)11(3)10(2)12(9)8-13(15(20)21)18-16(22)23-17(4,5)6/h7,13,19H,8H2,1-6H3,(H,18,22)(H,20,21)