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

Systemtic Name: 3-[[2-(3-azanylpropyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 3-[[2-(3-aminopropyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid CAS Name: 3-[[2-(3-aminopropyl)-5,6-dimethyl-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 3-[[2-(3-aminopropyl)-5,6-dimethylbenzimidazol-1-yl]methyl]benzoic acid Traditional Name: 3-[[2-(3-aminopropyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-13-9-17-18(10-14(13)2)23(19(22-17)7-4-8-21)12-15-5-3-6-16(11-15)20(24)25/h3,5-6,9-11H,4,7-8,12,21H2,1-2H3,(H,24,25)