4-azanyl-4-(5-azanylpentyl)-1,7-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)heptane-3,5-dione

Systemtic Name: 4-azanyl-4-(5-azanylpentyl)-1,7-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)heptane-3,5-dione Openeye Name: 4-amino-4-(5-aminopentyl)-1,7-bis(3,5-ditert-butyl-4-hydroxy-phenyl)heptane-3,5-dione CAS Name: 4-amino-4-(5-aminopentyl)-1,7-bis(3,5-ditert-butyl-4-hydroxyphenyl)heptane-3,5-dione IUPAC Name: 4-amino-4-(5-aminopentyl)-1,7-bis(3,5-ditert-butyl-4-hydroxyphenyl)heptane-3,5-dione Traditional Name: 4-amino-4-(5-aminopentyl)-1,7-bis(3,5-ditert-butyl-4-hydroxy-phenyl)heptane-3,5-dione Formula: C40H64N2O4 MolecularWeight: 636.94716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)C(CCCCCN)(C(=O)CCC2=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)CCC(=O)C(CCCCCN)(C(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)N

InChI

InChI=1S/C40H64N2O4/c1-36(2,3)28-22-26(23-29(34(28)45)37(4,5)6)16-18-32(43)40(42,20-14-13-15-21-41)33(44)19-17-27-24-30(38(7,8)9)35(46)31(25-27)39(10,11)12/h22-25,45-46H,13-21,41-42H2,1-12H3