6-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]-3-chloranyl-pyridazine-4-carboxylic acid

Systemtic Name: 6-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]-3-chloranyl-pyridazine-4-carboxylic acid Openeye Name: 6-[3-[bis(tert-butoxycarbonyl)amino]-1-piperidyl]-3-chloro-pyridazine-4-carboxylic acid CAS Name: 6-[3-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-3-chloro-4-pyridazinecarboxylic acid IUPAC Name: 6-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]-3-chloropyridazine-4-carboxylic acid Traditional Name: 6-[3-[bis(tert-butoxycarbonyl)amino]piperidino]-3-chloro-pyridazine-4-carboxylic acid Formula: C20H29ClN4O6 MolecularWeight: 456.92046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1CCCN(C1)C2=NN=C(C(=C2)C(=O)O)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C1CCCN(C1)C2=NN=C(C(=C2)C(=O)O)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H29ClN4O6/c1-19(2,3)30-17(28)25(18(29)31-20(4,5)6)12-8-7-9-24(11-12)14-10-13(16(26)27)15(21)23-22-14/h10,12H,7-9,11H2,1-6H3,(H,26,27)