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

Systemtic Name: 3-phenyl-3-[5-(pyridin-2-ylcarbonylamino)benzimidazol-1-yl]propanoic acid Openeye Name: 3-phenyl-3-[5-(pyridine-2-carbonylamino)benzimidazol-1-yl]propanoic acid CAS Name: 3-[5-[[oxo(2-pyridinyl)methyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[5-(pyridine-2-carbonylamino)benzimidazol-1-yl]propanoic acid Traditional Name: 3-phenyl-3-(5-picolinamidobenzimidazol-1-yl)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=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)C4=CC=CC=N4

InChI

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