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

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-(4-methoxyphenyl)amino]ethanoic acid Openeye Name: 2-(N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-methoxy-anilino)acetic acid CAS Name: 2-(N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-methoxyanilino)acetic acid IUPAC Name: 2-(N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-methoxyanilino)acetic acid Traditional Name: 2-(N-[2-keto-2-(piperonylamino)ethyl]-4-methoxy-anilino)acetic acid Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)CC(=O)O

InChI

InChI=1S/C19H20N2O6/c1-25-15-5-3-14(4-6-15)21(11-19(23)24)10-18(22)20-9-13-2-7-16-17(8-13)27-12-26-16/h2-8H,9-12H2,1H3,(H,20,22)(H,23,24)