3-phenyl-3-[5-(2-pyridin-3-ylethanoylamino)benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-phenyl-3-[5-(2-pyridin-3-ylethanoylamino)benzimidazol-1-yl]propanoic acid Openeye Name: 3-phenyl-3-[5-[[2-(3-pyridyl)acetyl]amino]benzimidazol-1-yl]propanoic acid CAS Name: 3-[5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[5-[(2-pyridin-3-ylacetyl)amino]benzimidazol-1-yl]propanoic acid Traditional Name: 3-phenyl-3-[5-[[2-(3-pyridyl)acetyl]amino]benzimidazol-1-yl]propionic acid Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)CC4=CN=CC=C4

InChI

InChI=1S/C23H20N4O3/c28-22(11-16-5-4-10-24-14-16)26-18-8-9-20-19(12-18)25-15-27(20)21(13-23(29)30)17-6-2-1-3-7-17/h1-10,12,14-15,21H,11,13H2,(H,26,28)(H,29,30)