methyl 5-azanyl-6-chloranyl-3-[1-(3-oxidanylbutyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-8-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCC(CC1)C2COC3=C(O2)C(=C(C=C3C(=O)OC)Cl)N)O

Isomeric SMILES

CC(CCN1CCC(CC1)C2COC3=C(O2)C(=C(C=C3C(=O)OC)Cl)N)O

InChI

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