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

Systemtic Name: (1-butyl-3-oxidanyl-piperidin-4-yl)methyl 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate Openeye Name: (1-butyl-3-hydroxy-4-piperidyl)methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate CAS Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid (1-butyl-3-hydroxy-4-piperidinyl)methyl ester IUPAC Name: (1-butyl-3-hydroxypiperidin-4-yl)methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate Traditional Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid (1-butyl-3-hydroxy-4-piperidyl)methyl ester Formula: C19H27ClN2O5 MolecularWeight: 398.88108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O5/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/h9,12,15,23H,2-8,10-11,21H2,1H3