2-[5-cyano-2-[2-(3-cyanophenyl)ethyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid

Systemtic Name: 2-[5-cyano-2-[2-(3-cyanophenyl)ethyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid Openeye Name: 2-[5-cyano-2-[2-(3-cyanophenyl)ethyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid CAS Name: 2-[5-cyano-2-[2-(3-cyanophenyl)ethyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid IUPAC Name: 2-[5-cyano-2-[2-(3-cyanophenyl)ethyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid Traditional Name: 2-[5-cyano-2-[2-(3-cyanophenyl)ethyl]-3-ethyl-2H-benzimidazol-1-yl]propionic acid Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(N(C2=C1C=C(C=C2)C#N)C(C)C(=O)O)CCC3=CC=CC(=C3)C#N

Isomeric SMILES

CCN1C(N(C2=C1C=C(C=C2)C#N)C(C)C(=O)O)CCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H22N4O2/c1-3-25-20-12-18(14-24)7-9-19(20)26(15(2)22(27)28)21(25)10-8-16-5-4-6-17(11-16)13-23/h4-7,9,11-12,15,21H,3,8,10H2,1-2H3,(H,27,28)