(1-butylpiperidin-4-yl)methyl 6,7-bis(bromanyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylate

Systemtic Name: (1-butylpiperidin-4-yl)methyl 6,7-bis(bromanyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylate Openeye Name: (1-butyl-4-piperidyl)methyl 6,7-dibromo-2,3-dihydro-1,4-benzodioxine-5-carboxylate CAS Name: 6,7-dibromo-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid (1-butyl-4-piperidinyl)methyl ester IUPAC Name: (1-butylpiperidin-4-yl)methyl 6,7-dibromo-2,3-dihydro-1,4-benzodioxine-5-carboxylate Traditional Name: 6,7-dibromo-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid (1-butyl-4-piperidyl)methyl ester Formula: C19H25Br2NO4 MolecularWeight: 491.2141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)COC(=O)C2=C3C(=CC(=C2Br)Br)OCCO3

Isomeric SMILES

CCCCN1CCC(CC1)COC(=O)C2=C3C(=CC(=C2Br)Br)OCCO3

InChI

InChI=1S/C19H25Br2NO4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)16-17(21)14(20)11-15-18(16)25-10-9-24-15/h11,13H,2-10,12H2,1H3