(1-butylpiperidin-4-yl) 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate

Systemtic Name: (1-butylpiperidin-4-yl) 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate Openeye Name: (1-butyl-4-piperidyl) 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-4-piperidinyl) ester IUPAC Name: (1-butylpiperidin-4-yl) 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-4-piperidyl) ester Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)OC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl

Isomeric SMILES

CCCCN1CCC(CC1)OC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl

InChI

InChI=1S/C18H25ClN2O4/c1-2-3-6-21-7-4-12(5-8-21)25-18(22)13-11-14(19)15(20)17-16(13)23-9-10-24-17/h11-12H,2-10,20H2,1H3