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

Systemtic Name: 3-[5-(isoquinolin-3-ylcarbonylamino)benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-(isoquinoline-3-carbonylamino)benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[3-isoquinolinyl(oxo)methyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-(isoquinoline-3-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-(isoquinoline-3-carbonylamino)benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C26H20N4O3 MolecularWeight: 436.462

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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=CC5=CC=CC=C5C=N4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C26H20N4O3/c31-25(32)14-24(17-6-2-1-3-7-17)30-16-28-21-13-20(10-11-23(21)30)29-26(33)22-12-18-8-4-5-9-19(18)15-27-22/h1-13,15-16,24H,14H2,(H,29,33)(H,31,32)