tert-butyl 7-(4-chlorophenyl)carbonyloxy-5-methyl-8-(8-oxidanyl-1,5-diazonan-7-yl)-1,5-diazonane-1-carboxylate

Systemtic Name: tert-butyl 7-(4-chlorophenyl)carbonyloxy-5-methyl-8-(8-oxidanyl-1,5-diazonan-7-yl)-1,5-diazonane-1-carboxylate Openeye Name: tert-butyl 7-(4-chlorobenzoyl)oxy-8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1,5-diazonane-1-carboxylate CAS Name: 7-[(4-chlorophenyl)-oxomethoxy]-8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1,5-diazonane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(4-chlorobenzoyl)oxy-8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1,5-diazonane-1-carboxylate Traditional Name: 7-(4-chlorobenzoyl)oxy-8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1,5-diazonane-1-carboxylic acid tert-butyl ester Formula: C27H43ClN4O5 MolecularWeight: 539.10712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC(C(C1)C2CNCCCNCC2O)OC(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC(C(C1)C2CNCCCNCC2O)OC(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C27H43ClN4O5/c1-27(2,3)37-26(35)32-14-6-13-31(4)18-24(36-25(34)19-7-9-20(28)10-8-19)22(17-32)21-15-29-11-5-12-30-16-23(21)33/h7-10,21-24,29-30,33H,5-6,11-18H2,1-4H3