(1-butyl-3-oxidanyl-piperidin-4-yl)methyl 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate; ethanedioic acid

Systemtic Name: (1-butyl-3-oxidanyl-piperidin-4-yl)methyl 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate; ethanedioic acid Openeye Name: (1-butyl-3-hydroxy-4-piperidyl)methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate; oxalic acid CAS Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid (1-butyl-3-hydroxy-4-piperidinyl)methyl ester; oxalic acid IUPAC Name: (1-butyl-3-hydroxypiperidin-4-yl)methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate; oxalic acid Traditional Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid (1-butyl-3-hydroxy-4-piperidyl)methyl ester; oxalic acid Formula: C21H29ClN2O9 MolecularWeight: 488.91596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)O)COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN1CCC(C(C1)O)COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27ClN2O5.C2H2O4/c1-2-3-5-22-6-4-12(15(23)10-22)11-27-19(24)13-9-14(20)16(21)18-17(13)25-7-8-26-18;3-1(4)2(5)6/h9,12,15,23H,2-8,10-11,21H2,1H3;(H,3,4)(H,5,6)