2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[(3-ethoxy-4-oxidanyl-phenyl)methylamino]ethanoic acid

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[(3-ethoxy-4-oxidanyl-phenyl)methylamino]ethanoic acid Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[(3-ethoxy-4-hydroxy-phenyl)methylamino]acetic acid CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylamino]acetic acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylamino]acetic acid Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[(3-ethoxy-4-hydroxy-benzyl)amino]acetic acid Formula: C25H35NO5 MolecularWeight: 429.5491

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O)O

InChI

InChI=1S/C25H35NO5/c1-8-31-20-11-15(9-10-19(20)27)14-26-21(23(29)30)16-12-17(24(2,3)4)22(28)18(13-16)25(5,6)7/h9-13,21,26-28H,8,14H2,1-7H3,(H,29,30)