4-[[(7-chloranyl-2,3-dihydro-1,4-benzodioxin-5-yl)carbonylamino]methyl]-3-ethoxy-piperidine-1-carboxylate

Systemtic Name: 4-[[(7-chloranyl-2,3-dihydro-1,4-benzodioxin-5-yl)carbonylamino]methyl]-3-ethoxy-piperidine-1-carboxylate Openeye Name: 4-[[(7-chloro-2,3-dihydro-1,4-benzodioxine-5-carbonyl)amino]methyl]-3-ethoxy-piperidine-1-carboxylate CAS Name: 4-[[[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-oxomethyl]amino]methyl]-3-ethoxy-1-piperidinecarboxylate IUPAC Name: 4-[[(7-chloro-2,3-dihydro-1,4-benzodioxine-5-carbonyl)amino]methyl]-3-ethoxypiperidine-1-carboxylate Traditional Name: 4-[[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-carbonyl)amino]methyl]-3-ethoxy-piperidine-1-carboxylate Formula: C18H22ClN2O6- MolecularWeight: 397.83008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCC1CNC(=O)C2=CC(=CC3=C2OCCO3)Cl)C(=O)[O-]

Isomeric SMILES

CCOC1CN(CCC1CNC(=O)C2=CC(=CC3=C2OCCO3)Cl)C(=O)[O-]

InChI

InChI=1S/C18H23ClN2O6/c1-2-25-15-10-21(18(23)24)4-3-11(15)9-20-17(22)13-7-12(19)8-14-16(13)27-6-5-26-14/h7-8,11,15H,2-6,9-10H2,1H3,(H,20,22)(H,23,24)/p-1