6-[[2,4-di(propan-2-yl)phenyl]carbonylamino]-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-[[2,4-di(propan-2-yl)phenyl]carbonylamino]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-[(2,4-diisopropylbenzoyl)amino]-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-[[[2,4-di(propan-2-yl)phenyl]-oxomethyl]amino]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-[[2,4-di(propan-2-yl)benzoyl]amino]-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-[(2,4-diisopropylbenzoyl)amino]-piperonylic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2C(=O)O)OCO3)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2C(=O)O)OCO3)C(C)C

InChI

InChI=1S/C21H23NO5/c1-11(2)13-5-6-14(15(7-13)12(3)4)20(23)22-17-9-19-18(26-10-27-19)8-16(17)21(24)25/h5-9,11-12H,10H2,1-4H3,(H,22,23)(H,24,25)