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

Systemtic Name: tert-butyl 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29ClN2O5 MolecularWeight: 424.91836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H29ClN2O5/c1-21(2,3)29-20(26)24-7-5-15(6-8-24)19(25)23-13-14-11-16(22)18-17(12-14)27-9-4-10-28-18/h11-12,15H,4-10,13H2,1-3H3,(H,23,25)