2-[6-cyano-2-[(4-cyanophenyl)methyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid

Systemtic Name: 2-[6-cyano-2-[(4-cyanophenyl)methyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid Openeye Name: 2-[6-cyano-2-[(4-cyanophenyl)methyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid CAS Name: 2-[6-cyano-2-[(4-cyanophenyl)methyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid IUPAC Name: 2-[6-cyano-2-[(4-cyanophenyl)methyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid Traditional Name: 2-[6-cyano-2-(4-cyanobenzyl)-3-ethyl-2H-benzimidazol-1-yl]propionic acid Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(N(C2=C1C=CC(=C2)C#N)C(C)C(=O)O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCN1C(N(C2=C1C=CC(=C2)C#N)C(C)C(=O)O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N4O2/c1-3-24-18-9-8-17(13-23)10-19(18)25(14(2)21(26)27)20(24)11-15-4-6-16(12-22)7-5-15/h4-10,14,20H,3,11H2,1-2H3,(H,26,27)