3-[[2-(2-azanylethyl)-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[2-(2-azanylethyl)-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 3-[[2-(2-aminoethyl)-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzoic acid CAS Name: 3-[[2-(2-aminoethyl)-5,6-dimethoxy-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 3-[[2-(2-aminoethyl)-5,6-dimethoxybenzimidazol-1-yl]methyl]benzoic acid Traditional Name: 3-[[2-(2-aminoethyl)-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzoic acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CC3=CC=CC(=C3)C(=O)O)CCN)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2CC3=CC=CC(=C3)C(=O)O)CCN)OC

InChI

InChI=1S/C19H21N3O4/c1-25-16-9-14-15(10-17(16)26-2)22(18(21-14)6-7-20)11-12-4-3-5-13(8-12)19(23)24/h3-5,8-10H,6-7,11,20H2,1-2H3,(H,23,24)