2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-phenoxy]ethyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-phenoxy]ethyl-methyl-amino]ethanoic acid Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-phenoxy]ethyl-methyl-amino]acetic acid CAS Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butylphenoxy]ethyl-methylamino]acetic acid IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butylphenoxy]ethyl-methylamino]acetic acid Traditional Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-phenoxy]ethyl-methyl-amino]acetic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C2=CC3=C(C=C2)OCO3)OCCN(C)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C2=CC3=C(C=C2)OCO3)OCCN(C)CC(=O)O

InChI

InChI=1S/C22H27NO5/c1-22(2,3)17-11-15(16-6-8-19-20(12-16)28-14-27-19)5-7-18(17)26-10-9-23(4)13-21(24)25/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,24,25)