(1-butylpiperidin-4-yl)methyl 6-azanyl-5-chloranyl-2-ethoxy-pyridine-3-carboxylate; ethanedioic acid

Systemtic Name: (1-butylpiperidin-4-yl)methyl 6-azanyl-5-chloranyl-2-ethoxy-pyridine-3-carboxylate; ethanedioic acid Openeye Name: (1-butyl-4-piperidyl)methyl 6-amino-5-chloro-2-ethoxy-pyridine-3-carboxylate; oxalic acid CAS Name: 6-amino-5-chloro-2-ethoxy-3-pyridinecarboxylic acid (1-butyl-4-piperidinyl)methyl ester; oxalic acid IUPAC Name: (1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-ethoxypyridine-3-carboxylate; oxalic acid Traditional Name: 6-amino-5-chloro-2-ethoxy-nicotinic acid (1-butyl-4-piperidyl)methyl ester; oxalic acid Formula: C20H30ClN3O7 MolecularWeight: 459.9211

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)COC(=O)C2=CC(=C(N=C2OCC)N)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN1CCC(CC1)COC(=O)C2=CC(=C(N=C2OCC)N)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28ClN3O3.C2H2O4/c1-3-5-8-22-9-6-13(7-10-22)12-25-18(23)14-11-15(19)16(20)21-17(14)24-4-2;3-1(4)2(5)6/h11,13H,3-10,12H2,1-2H3,(H2,20,21);(H,3,4)(H,5,6)