4-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]butanoic acid

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]butanoic acid Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]butanoic acid CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-1-benzimidazolyl]butanoic acid IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]butanoic acid Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]butyric acid Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4N3CCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4N3CCCC(=O)O

InChI

InChI=1S/C18H16N2O4/c21-17(22)6-3-9-20-14-5-2-1-4-13(14)19-18(20)12-7-8-15-16(10-12)24-11-23-15/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,21,22)