2-[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]ethynyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]ethynyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-[6-(tert-butoxycarbonylamino)-3-pyridyl]ethynyl]pyridine-3-carboxylic acid CAS Name: 2-[2-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]ethynyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-[6-(tert-butoxycarbonylamino)-3-pyridyl]ethynyl]nicotinic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=C(C=C1)C#CC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=C(C=C1)C#CC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C18H17N3O4/c1-18(2,3)25-17(24)21-15-9-7-12(11-20-15)6-8-14-13(16(22)23)5-4-10-19-14/h4-5,7,9-11H,1-3H3,(H,22,23)(H,20,21,24)