3-[4-(4-cyanophenyl)phenyl]-2-(isoquinolin-3-ylcarbonylamino)propanoic acid

Systemtic Name: 3-[4-(4-cyanophenyl)phenyl]-2-(isoquinolin-3-ylcarbonylamino)propanoic acid Openeye Name: 3-[4-(4-cyanophenyl)phenyl]-2-(isoquinoline-3-carbonylamino)propanoic acid CAS Name: 3-[4-(4-cyanophenyl)phenyl]-2-[[3-isoquinolinyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[4-(4-cyanophenyl)phenyl]-2-(isoquinoline-3-carbonylamino)propanoic acid Traditional Name: 3-[4-(4-cyanophenyl)phenyl]-2-(isoquinoline-3-carbonylamino)propionic acid Formula: C26H19N3O3 MolecularWeight: 421.44736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)NC(CC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NC(CC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C26H19N3O3/c27-15-18-7-11-20(12-8-18)19-9-5-17(6-10-19)13-24(26(31)32)29-25(30)23-14-21-3-1-2-4-22(21)16-28-23/h1-12,14,16,24H,13H2,(H,29,30)(H,31,32)