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

Systemtic Name: [1-(3-oxidanylidenebutyl)piperidin-4-yl]methyl 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate Openeye Name: [1-(3-oxobutyl)-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-(3-oxobutyl)-4-piperidinyl]methyl ester IUPAC Name: [1-(3-oxobutyl)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-(3-ketobutyl)-4-piperidyl]methyl ester Formula: C19H25ClN2O5 MolecularWeight: 396.8652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1CCC(CC1)COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl

Isomeric SMILES

CC(=O)CCN1CCC(CC1)COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl

InChI

InChI=1S/C19H25ClN2O5/c1-12(23)2-5-22-6-3-13(4-7-22)11-27-19(24)14-10-15(20)16(21)18-17(14)25-8-9-26-18/h10,13H,2-9,11,21H2,1H3