2-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzoic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzoic acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H15NO5/c19-16(18-13-4-2-1-3-12(13)17(20)21)8-6-11-5-7-14-15(9-11)23-10-22-14/h1-5,7,9H,6,8,10H2,(H,18,19)(H,20,21)