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

Systemtic Name: 5-azanyl-6-chloranyl-8-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: 5-amino-6-chloro-8-[(1-isobutyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 5-amino-6-chloro-8-[[1-(2-methylpropyl)-4-piperidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: 5-amino-6-chloro-8-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 5-amino-6-chloro-8-[(1-isobutyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C19H26ClN2O4- MolecularWeight: 381.87374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl

Isomeric SMILES

CC(C)CN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl

InChI

InChI=1S/C19H27ClN2O4/c1-11(2)9-22-5-3-12(4-6-22)7-13-8-14(20)16(21)18-17(13)25-10-15(26-18)19(23)24/h8,11-12,15H,3-7,9-10,21H2,1-2H3,(H,23,24)/p-1