3-chloranyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid

Systemtic Name: 3-chloranyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid Openeye Name: 2-(4-tert-butoxycarbonylpiperazin-1-yl)-3-chloro-pyridine-4-carboxylic acid CAS Name: 3-chloro-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-pyridinecarboxylic acid IUPAC Name: 3-chloro-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid Traditional Name: 2-(4-tert-butoxycarbonylpiperazino)-3-chloro-isonicotinic acid Formula: C15H20ClN3O4 MolecularWeight: 341.79

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CC(=C2Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CC(=C2Cl)C(=O)O

InChI

InChI=1S/C15H20ClN3O4/c1-15(2,3)23-14(22)19-8-6-18(7-9-19)12-11(16)10(13(20)21)4-5-17-12/h4-5H,6-9H2,1-3H3,(H,20,21)