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

Systemtic Name: [1-(2-acetamidoethyl)piperidin-4-yl]methyl 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate Openeye Name: [1-(2-acetamidoethyl)-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-(2-acetamidoethyl)-4-piperidinyl]methyl ester IUPAC Name: [1-(2-acetamidoethyl)piperidin-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-(2-acetamidoethyl)-4-piperidyl]methyl ester Formula: C19H26ClN3O5 MolecularWeight: 411.87984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1CCC(CC1)COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl

Isomeric SMILES

CC(=O)NCCN1CCC(CC1)COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl

InChI

InChI=1S/C19H26ClN3O5/c1-12(24)22-4-7-23-5-2-13(3-6-23)11-28-19(25)14-10-15(20)16(21)18-17(14)26-8-9-27-18/h10,13H,2-9,11,21H2,1H3,(H,22,24)