3-[2-(2,5-dimethylfuran-3-yl)benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[2-(2,5-dimethylfuran-3-yl)benzimidazol-1-yl]propanoic acid Openeye Name: 3-[2-(2,5-dimethyl-3-furyl)benzimidazol-1-yl]propanoic acid CAS Name: 3-[2-(2,5-dimethyl-3-furanyl)-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[2-(2,5-dimethylfuran-3-yl)benzimidazol-1-yl]propanoic acid Traditional Name: 3-[2-(2,5-dimethyl-3-furyl)benzimidazol-1-yl]propionic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=NC3=CC=CC=C3N2CCC(=O)O

Isomeric SMILES

CC1=CC(=C(O1)C)C2=NC3=CC=CC=C3N2CCC(=O)O

InChI

InChI=1S/C16H16N2O3/c1-10-9-12(11(2)21-10)16-17-13-5-3-4-6-14(13)18(16)8-7-15(19)20/h3-6,9H,7-8H2,1-2H3,(H,19,20)