3-(4-ethynylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-propanoate

Systemtic Name: 3-(4-ethynylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-propanoate Openeye Name: 3-(tert-butoxycarbonylamino)-3-(4-ethynylphenyl)-2-hydroxy-propanoate CAS Name: 3-(4-ethynylphenyl)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoate IUPAC Name: 3-(4-ethynylphenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)-3-(4-ethynylphenyl)-2-hydroxy-propionate Formula: C16H18NO5- MolecularWeight: 304.31782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)C#C)C(C(=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)C#C)C(C(=O)[O-])O

InChI

InChI=1S/C16H19NO5/c1-5-10-6-8-11(9-7-10)12(13(18)14(19)20)17-15(21)22-16(2,3)4/h1,6-9,12-13,18H,2-4H3,(H,17,21)(H,19,20)/p-1