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

Systemtic Name: 5-azanyl-6-chloranyl-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxylate Openeye Name: 5-amino-3-[(1-tert-butoxycarbonyl-4-piperidyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate CAS Name: 5-amino-6-chloro-3-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-8-carboxylate IUPAC Name: 5-amino-6-chloro-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxylate Traditional Name: 5-amino-3-[(1-tert-butoxycarbonyl-4-piperidyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylate Formula: C20H26ClN2O6- MolecularWeight: 425.88324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC2COC3=C(O2)C(=C(C=C3C(=O)[O-])Cl)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC2COC3=C(O2)C(=C(C=C3C(=O)[O-])Cl)N

InChI

InChI=1S/C20H27ClN2O6/c1-20(2,3)29-19(26)23-6-4-11(5-7-23)8-12-10-27-16-13(18(24)25)9-14(21)15(22)17(16)28-12/h9,11-12H,4-8,10,22H2,1-3H3,(H,24,25)/p-1