4-[3-(2-methylbenzimidazol-1-yl)-2-oxidanyl-propoxy]benzoic acid

Systemtic Name: 4-[3-(2-methylbenzimidazol-1-yl)-2-oxidanyl-propoxy]benzoic acid Openeye Name: 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoic acid CAS Name: 4-[2-hydroxy-3-(2-methyl-1-benzimidazolyl)propoxy]benzoic acid IUPAC Name: 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoic acid Traditional Name: 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C18H18N2O4/c1-12-19-16-4-2-3-5-17(16)20(12)10-14(21)11-24-15-8-6-13(7-9-15)18(22)23/h2-9,14,21H,10-11H2,1H3,(H,22,23)