3-[2-(1,3-benzodioxol-5-yl)ethyl-(4-methoxyphenyl)amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl-(4-methoxyphenyl)amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-anilino]-3-oxo-propanoic acid CAS Name: 3-[N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxyanilino]-3-oxopropanoic acid IUPAC Name: 3-[N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxyanilino]-3-oxopropanoic acid Traditional Name: 3-(N-homopiperonyl-4-methoxy-anilino)-3-keto-propionic acid Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC2=CC3=C(C=C2)OCO3)C(=O)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC2=CC3=C(C=C2)OCO3)C(=O)CC(=O)O

InChI

InChI=1S/C19H19NO6/c1-24-15-5-3-14(4-6-15)20(18(21)11-19(22)23)9-8-13-2-7-16-17(10-13)26-12-25-16/h2-7,10H,8-9,11-12H2,1H3,(H,22,23)