N1,N3-bis[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-5-methyl-benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-5-methyl-benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[3-[2,4-bis(1,1-dimethylpropyl)phenoxy]propyl]-5-methyl-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-5-methylbenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-5-methylbenzene-1,3-dicarboxamide Traditional Name: N,N'-bis[3-(2,4-ditert-amylphenoxy)propyl]-5-methyl-isophthalamide Formula: C47H70N2O4 MolecularWeight: 727.0697

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)C2=CC(=CC(=C2)C)C(=O)NCCCOC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)C2=CC(=CC(=C2)C)C(=O)NCCCOC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C47H70N2O4/c1-14-44(6,7)36-20-22-40(38(31-36)46(10,11)16-3)52-26-18-24-48-42(50)34-28-33(5)29-35(30-34)43(51)49-25-19-27-53-41-23-21-37(45(8,9)15-2)32-39(41)47(12,13)17-4/h20-23,28-32H,14-19,24-27H2,1-13H3,(H,48,50)(H,49,51)