2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-tert-butylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-tert-butylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-tert-butylphenyl)-4-oxo-butanoic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid Traditional Name: 4-(4-tert-butylphenyl)-4-keto-2-(piperonylamino)butyric acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5/c1-22(2,3)16-7-5-15(6-8-16)18(24)11-17(21(25)26)23-12-14-4-9-19-20(10-14)28-13-27-19/h4-10,17,23H,11-13H2,1-3H3,(H,25,26)