4-azanyl-4-(6-azanylhexyl)-3,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)heptanediamide

Systemtic Name: 4-azanyl-4-(6-azanylhexyl)-3,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)heptanediamide Openeye Name: 4-amino-4-(6-aminohexyl)-3,5-bis(3,5-ditert-butyl-4-hydroxy-phenyl)heptanediamide CAS Name: 4-amino-4-(6-aminohexyl)-3,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)heptanediamide IUPAC Name: 4-amino-4-(6-aminohexyl)-3,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)heptanediamide Traditional Name: 4-amino-4-(6-aminohexyl)-3,5-bis(3,5-ditert-butyl-4-hydroxy-phenyl)pimelamide Formula: C41H68N4O4 MolecularWeight: 681.00302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(CC(=O)N)C(CCCCCCN)(C(CC(=O)N)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(CC(=O)N)C(CCCCCCN)(C(CC(=O)N)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)N

InChI

InChI=1S/C41H68N4O4/c1-37(2,3)29-19-25(20-30(35(29)48)38(4,5)6)27(23-33(43)46)41(45,17-15-13-14-16-18-42)28(24-34(44)47)26-21-31(39(7,8)9)36(49)32(22-26)40(10,11)12/h19-22,27-28,48-49H,13-18,23-24,42,45H2,1-12H3,(H2,43,46)(H2,44,47)