2-(1,3-benzodioxol-5-ylmethyl)-4-[methyl(phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[methyl(phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(N-methylanilino)-4-oxo-butanoic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(N-methylanilino)-4-oxobutanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(N-methylanilino)-4-oxobutanoic acid Traditional Name: 4-keto-4-(N-methylanilino)-2-piperonyl-butyric acid Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CC(CC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CC(CC2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C19H19NO5/c1-20(15-5-3-2-4-6-15)18(21)11-14(19(22)23)9-13-7-8-16-17(10-13)25-12-24-16/h2-8,10,14H,9,11-12H2,1H3,(H,22,23)