2-[3-(1H-benzimidazol-2-yl)-5-ethoxy-phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid

Systemtic Name: 2-[3-(1H-benzimidazol-2-yl)-5-ethoxy-phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid Openeye Name: 2-[3-(1H-benzimidazol-2-yl)-5-ethoxy-phenyl]-2-(4-cyanoanilino)acetic acid CAS Name: 2-[3-(1H-benzimidazol-2-yl)-5-ethoxyphenyl]-2-(4-cyanoanilino)acetic acid IUPAC Name: 2-[3-(1H-benzimidazol-2-yl)-5-ethoxyphenyl]-2-(4-cyanoanilino)acetic acid Traditional Name: 2-[3-(1H-benzimidazol-2-yl)-5-ethoxy-phenyl]-2-(4-cyanoanilino)acetic acid Formula: C24H20N4O3 MolecularWeight: 412.4406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H20N4O3/c1-2-31-19-12-16(22(24(29)30)26-18-9-7-15(14-25)8-10-18)11-17(13-19)23-27-20-5-3-4-6-21(20)28-23/h3-13,22,26H,2H2,1H3,(H,27,28)(H,29,30)