2-[2-(2-aminophenyl)-1-(1,3-benzodioxol-5-yl)ethyl]propanedioic acid

Systemtic Name: 2-[2-(2-aminophenyl)-1-(1,3-benzodioxol-5-yl)ethyl]propanedioic acid Openeye Name: 2-[2-(2-aminophenyl)-1-(1,3-benzodioxol-5-yl)ethyl]propanedioic acid CAS Name: 2-[2-(2-aminophenyl)-1-(1,3-benzodioxol-5-yl)ethyl]propanedioic acid IUPAC Name: 2-[2-(2-aminophenyl)-1-(1,3-benzodioxol-5-yl)ethyl]propanedioic acid Traditional Name: 2-[2-(2-aminophenyl)-1-(1,3-benzodioxol-5-yl)ethyl]malonic acid Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3N)C(C(=O)O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3N)C(C(=O)O)C(=O)O

InChI

InChI=1S/C18H17NO6/c19-13-4-2-1-3-11(13)7-12(16(17(20)21)18(22)23)10-5-6-14-15(8-10)25-9-24-14/h1-6,8,12,16H,7,9,19H2,(H,20,21)(H,22,23)