4-[[3-[6-[3-(3,5-ditert-butyl-4-oxidanyl-phenoxy)propoxymethyl]-2-ethenyl-pyridin-3-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[6-[3-(3,5-ditert-butyl-4-oxidanyl-phenoxy)propoxymethyl]-2-ethenyl-pyridin-3-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[6-[3-(3,5-ditert-butyl-4-hydroxy-phenoxy)propoxymethyl]-2-vinyl-3-pyridyl]anilino]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-[3-[6-[3-(3,5-ditert-butyl-4-hydroxyphenoxy)propoxymethyl]-2-ethenyl-3-pyridinyl]anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[3-[6-[3-(3,5-ditert-butyl-4-hydroxyphenoxy)propoxymethyl]-2-ethenylpyridin-3-yl]anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-[3-[6-[3-(3,5-ditert-butyl-4-hydroxy-phenoxy)propoxymethyl]-2-vinyl-3-pyridyl]anilino]-2,2-diethyl-4-keto-butyric acid Formula: C39H52N2O6 MolecularWeight: 644.83998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC=CC(=C1)C2=C(N=C(C=C2)COCCCOC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C=C)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC=CC(=C1)C2=C(N=C(C=C2)COCCCOC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C=C)C(=O)O

InChI

InChI=1S/C39H52N2O6/c1-10-33-30(26-15-13-16-27(21-26)41-34(42)24-39(11-2,12-3)36(44)45)18-17-28(40-33)25-46-19-14-20-47-29-22-31(37(4,5)6)35(43)32(23-29)38(7,8)9/h10,13,15-18,21-23,43H,1,11-12,14,19-20,24-25H2,2-9H3,(H,41,42)(H,44,45)