2-[[5-ethenyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]propanedioic acid

Systemtic Name: 2-[[5-ethenyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]propanedioic acid Openeye Name: 2-[[6-(tert-butoxycarbonylamino)-5-vinyl-3-pyridyl]methyl]propanedioic acid CAS Name: 2-[[5-ethenyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]methyl]propanedioic acid IUPAC Name: 2-[[5-ethenyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]propanedioic acid Traditional Name: 2-[[6-(tert-butoxycarbonylamino)-5-vinyl-3-pyridyl]methyl]malonic acid Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=C(C=C1C=C)CC(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=C(C=C1C=C)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C16H20N2O6/c1-5-10-6-9(7-11(13(19)20)14(21)22)8-17-12(10)18-15(23)24-16(2,3)4/h5-6,8,11H,1,7H2,2-4H3,(H,19,20)(H,21,22)(H,17,18,23)