2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-(4-cyanophenyl)ethyl]-1-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-(4-cyanophenyl)ethyl]-1-methylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazole-5-carboxylic acid Formula: C18H15N3O2 MolecularWeight: 305.3306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)O)N=C1CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)O)N=C1CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15N3O2/c1-21-16-8-7-14(18(22)23)10-15(16)20-17(21)9-6-12-2-4-13(11-19)5-3-12/h2-5,7-8,10H,6,9H2,1H3,(H,22,23)