1-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-5-isocyano-4-methyl-3H-pyridine-2,6-dione

Systemtic Name: 1-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-5-isocyano-4-methyl-3H-pyridine-2,6-dione Openeye Name: 1-[3-[2,4-bis(1,1-dimethylpropyl)phenoxy]propyl]-5-isocyano-4-methyl-3H-pyridine-2,6-dione CAS Name: 1-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-5-isocyano-4-methyl-3H-pyridine-2,6-dione IUPAC Name: 1-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-5-isocyano-4-methyl-3H-pyridine-2,6-dione Traditional Name: 1-[3-(2,4-ditert-amylphenoxy)propyl]-5-isocyano-4-methyl-3H-pyridine-2,6-quinone Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCN2C(=O)CC(=C(C2=O)[N+]#[C-])C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCN2C(=O)CC(=C(C2=O)[N+]#[C-])C)C(C)(C)CC

InChI

InChI=1S/C26H36N2O3/c1-9-25(4,5)19-12-13-21(20(17-19)26(6,7)10-2)31-15-11-14-28-22(29)16-18(3)23(27-8)24(28)30/h12-13,17H,9-11,14-16H2,1-7H3