2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethanoic acid

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethanoic acid Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]acetic acid CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]acetic acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]acetic acid Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]acetic acid Formula: C25H33NO6 MolecularWeight: 443.53262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)NCC2=CC3=C(C(=C2)OC)OCO3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)NCC2=CC3=C(C(=C2)OC)OCO3

InChI

InChI=1S/C25H33NO6/c1-24(2,3)16-10-15(11-17(21(16)27)25(4,5)6)20(23(28)29)26-12-14-8-18(30-7)22-19(9-14)31-13-32-22/h8-11,20,26-27H,12-13H2,1-7H3,(H,28,29)