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

Systemtic Name: tert-butyl 4-[[(8-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)carbonylamino]methyl]-3-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(8-chloro-3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl)amino]methyl]-3-hydroxy-piperidine-1-carboxylate CAS Name: 4-[[[(8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-oxomethyl]amino]methyl]-3-hydroxy-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(8-chloro-3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl)amino]methyl]-3-hydroxypiperidine-1-carboxylate Traditional Name: 4-[[(8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-6-carbonyl)amino]methyl]-3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29ClN2O6 MolecularWeight: 440.91776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)O)CNC(=O)C2=CC(=CC3=C2OCCCO3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)O)CNC(=O)C2=CC(=CC3=C2OCCCO3)Cl

InChI

InChI=1S/C21H29ClN2O6/c1-21(2,3)30-20(27)24-6-5-13(16(25)12-24)11-23-19(26)15-9-14(22)10-17-18(15)29-8-4-7-28-17/h9-10,13,16,25H,4-8,11-12H2,1-3H3,(H,23,26)