2-[(6-azanyl-1,3-benzodioxol-5-yl)methylamino]-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoic acid

Systemtic Name: 2-[(6-azanyl-1,3-benzodioxol-5-yl)methylamino]-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoic acid Openeye Name: 2-[(6-amino-1,3-benzodioxol-5-yl)methylamino]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetic acid CAS Name: 2-[(6-amino-1,3-benzodioxol-5-yl)methylamino]-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid IUPAC Name: 2-[(6-amino-1,3-benzodioxol-5-yl)methylamino]-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid Traditional Name: 2-[(6-amino-1,3-benzodioxol-5-yl)methylamino]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetic acid Formula: C24H32N2O5 MolecularWeight: 428.52128

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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=C2N)OCO3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)NCC2=CC3=C(C=C2N)OCO3

InChI

InChI=1S/C24H32N2O5/c1-23(2,3)15-7-13(8-16(21(15)27)24(4,5)6)20(22(28)29)26-11-14-9-18-19(10-17(14)25)31-12-30-18/h7-10,20,26-27H,11-12,25H2,1-6H3,(H,28,29)