5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid

Systemtic Name: 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid Openeye Name: 5-[(tert-butoxycarbonylamino)methyl]pyridine-3-carboxylic acid CAS Name: 5-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid Traditional Name: 5-[(tert-butoxycarbonylamino)methyl]nicotinic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CN=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CN=CC(=C1)C(=O)O

InChI

InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-6-8-4-9(10(15)16)7-13-5-8/h4-5,7H,6H2,1-3H3,(H,14,17)(H,15,16)