1-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]cyclopropane-1-carboxylic acid Openeye Name: 1-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]cyclopropanecarboxylic acid CAS Name: 1-[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]cyclopropane-1-carboxylic acid Traditional Name: 1-[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]cyclopropanecarboxylic acid Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)O)N=C1CC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)O)N=C1CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H17N3O2/c1-23-17-7-6-15(20(8-9-20)19(24)25)11-16(17)22-18(23)10-13-2-4-14(12-21)5-3-13/h2-7,11H,8-10H2,1H3,(H,24,25)