3-[2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]propanoic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]propanoic acid CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]propanoic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]propanoic acid Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]propionic acid Formula: C18H15NO4 MolecularWeight: 309.316

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C4=CC=CC=C4N3)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C4=CC=CC=C4N3)CCC(=O)O

InChI

InChI=1S/C18H15NO4/c20-17(21)8-6-13-12-3-1-2-4-14(12)19-18(13)11-5-7-15-16(9-11)23-10-22-15/h1-5,7,9,19H,6,8,10H2,(H,20,21)