[(8-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)carbonylamino]methyl 3-oxidanylpiperidine-1-carboxylate

Systemtic Name: [(8-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)carbonylamino]methyl 3-oxidanylpiperidine-1-carboxylate Openeye Name: [(8-chloro-3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl)amino]methyl 3-hydroxypiperidine-1-carboxylate CAS Name: 3-hydroxy-1-piperidinecarboxylic acid [[(8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-oxomethyl]amino]methyl ester IUPAC Name: [(8-chloro-3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl)amino]methyl 3-hydroxypiperidine-1-carboxylate Traditional Name: 3-hydroxypiperidine-1-carboxylic acid [(8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-6-carbonyl)amino]methyl ester Formula: C17H21ClN2O6 MolecularWeight: 384.81144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)OCNC(=O)C2=CC(=CC3=C2OCCCO3)Cl)O

Isomeric SMILES

C1CC(CN(C1)C(=O)OCNC(=O)C2=CC(=CC3=C2OCCCO3)Cl)O

InChI

InChI=1S/C17H21ClN2O6/c18-11-7-13(15-14(8-11)24-5-2-6-25-15)16(22)19-10-26-17(23)20-4-1-3-12(21)9-20/h7-8,12,21H,1-6,9-10H2,(H,19,22)