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

Systemtic Name: 3-phenyl-3-[5-(pyridin-3-ylcarbonylamino)benzimidazol-1-yl]propanoic acid Openeye Name: 3-phenyl-3-[5-(pyridine-3-carbonylamino)benzimidazol-1-yl]propanoic acid CAS Name: 3-[5-[[oxo(3-pyridinyl)methyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[5-(pyridine-3-carbonylamino)benzimidazol-1-yl]propanoic acid Traditional Name: 3-(5-nicotinamidobenzimidazol-1-yl)-3-phenyl-propionic acid Formula: C22H18N4O3 MolecularWeight: 386.40332

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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)C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3/c27-21(28)12-20(15-5-2-1-3-6-15)26-14-24-18-11-17(8-9-19(18)26)25-22(29)16-7-4-10-23-13-16/h1-11,13-14,20H,12H2,(H,25,29)(H,27,28)