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

Systemtic Name: 3-[[2-(2-azanylethyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 3-[[2-(2-aminoethyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid CAS Name: 3-[[2-(2-aminoethyl)-5,6-dimethyl-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 3-[[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]methyl]benzoic acid Traditional Name: 3-[[2-(2-aminoethyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CCN)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CCN)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H21N3O2/c1-12-8-16-17(9-13(12)2)22(18(21-16)6-7-20)11-14-4-3-5-15(10-14)19(23)24/h3-5,8-10H,6-7,11,20H2,1-2H3,(H,23,24)