3-[[4,7-bis(2-ethyl-3-methyl-2-oxidanyl-butyl)-1,4,7-triazonan-1-yl]methyl]-2-methyl-pentan-3-ol

Systemtic Name: 3-[[4,7-bis(2-ethyl-3-methyl-2-oxidanyl-butyl)-1,4,7-triazonan-1-yl]methyl]-2-methyl-pentan-3-ol Openeye Name: 3-[[4,7-bis(2-ethyl-2-hydroxy-3-methyl-butyl)-1,4,7-triazonan-1-yl]methyl]-2-methyl-pentan-3-ol CAS Name: 3-[[4,7-bis(2-ethyl-2-hydroxy-3-methylbutyl)-1,4,7-triazonan-1-yl]methyl]-2-methyl-3-pentanol IUPAC Name: 3-[[4,7-bis(2-ethyl-2-hydroxy-3-methylbutyl)-1,4,7-triazonan-1-yl]methyl]-2-methylpentan-3-ol Traditional Name: 3-[[4,7-bis(2-ethyl-2-hydroxy-3-methyl-butyl)-1,4,7-triazonan-1-yl]methyl]-2-methyl-pentan-3-ol Formula: C27H57N3O3 MolecularWeight: 471.75978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCN(CCN(CC1)CC(CC)(C(C)C)O)CC(CC)(C(C)C)O)(C(C)C)O

Isomeric SMILES

CCC(CN1CCN(CCN(CC1)CC(CC)(C(C)C)O)CC(CC)(C(C)C)O)(C(C)C)O

InChI

InChI=1S/C27H57N3O3/c1-10-25(31,22(4)5)19-28-13-15-29(20-26(32,11-2)23(6)7)17-18-30(16-14-28)21-27(33,12-3)24(8)9/h22-24,31-33H,10-21H2,1-9H3