N2,N3,N3-tris[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]-2-oxidanyl-propane-1,2,3-tricarboxamide

Systemtic Name: N2,N3,N3-tris[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]-2-oxidanyl-propane-1,2,3-tricarboxamide Openeye Name: N2,N3,N3-tris[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)methyl]-2-hydroxy-propane-1,2,3-tricarboxamide CAS Name: N2,N3,N3-tris[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-hydroxypropane-1,2,3-tricarboxamide IUPAC Name: 2-N,3-N,3-N-tris[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-hydroxypropane-1,2,3-tricarboxamide Traditional Name: N2,N3,N3-tris(3-tert-butyl-4-hydroxy-5-methyl-benzyl)-2-hydroxy-propane-1,2,3-tricarboxamide Formula: C42H59N3O7 MolecularWeight: 717.93376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CNC(=O)C(CC(=O)N)(CC(=O)N(CC2=CC(=C(C(=C2)C(C)(C)C)O)C)CC3=CC(=C(C(=C3)C(C)(C)C)O)C)O)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CNC(=O)C(CC(=O)N)(CC(=O)N(CC2=CC(=C(C(=C2)C(C)(C)C)O)C)CC3=CC(=C(C(=C3)C(C)(C)C)O)C)O)C(C)(C)C)O

InChI

InChI=1S/C42H59N3O7/c1-24-13-27(16-30(35(24)48)39(4,5)6)21-44-38(51)42(52,19-33(43)46)20-34(47)45(22-28-14-25(2)36(49)31(17-28)40(7,8)9)23-29-15-26(3)37(50)32(18-29)41(10,11)12/h13-18,48-50,52H,19-23H2,1-12H3,(H2,43,46)(H,44,51)