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

Systemtic Name: [(8-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)carbonylamino]methyl 4-(3-oxidanylpiperidin-1-yl)butanoate Openeye Name: [(8-chloro-3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl)amino]methyl 4-(3-hydroxy-1-piperidyl)butanoate CAS Name: 4-(3-hydroxy-1-piperidinyl)butanoic 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 4-(3-hydroxypiperidin-1-yl)butanoate Traditional Name: 4-(3-hydroxypiperidino)butyric acid [(8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-6-carbonyl)amino]methyl ester Formula: C20H27ClN2O6 MolecularWeight: 426.89118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O6/c21-14-10-16(19-17(11-14)27-8-3-9-28-19)20(26)22-13-29-18(25)5-2-7-23-6-1-4-15(24)12-23/h10-11,15,24H,1-9,12-13H2,(H,22,26)