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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1CCC(CC1)C2COC3=C(O2)C(=C(C=C3C(=O)OC)Cl)N

Isomeric SMILES

CC(=O)NCCN1CCC(CC1)C2COC3=C(O2)C(=C(C=C3C(=O)OC)Cl)N

InChI

InChI=1S/C19H26ClN3O5/c1-11(24)22-5-8-23-6-3-12(4-7-23)15-10-27-17-13(19(25)26-2)9-14(20)16(21)18(17)28-15/h9,12,15H,3-8,10,21H2,1-2H3,(H,22,24)