O1-tert-butyl O4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] ester Formula: C21H28ClNO6 MolecularWeight: 425.90312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H28ClNO6/c1-21(2,3)29-20(25)23-7-5-15(6-8-23)19(24)28-13-14-11-16(22)18-17(12-14)26-9-4-10-27-18/h11-12,15H,4-10,13H2,1-3H3