3-[4-(3-isoquinolin-6-yl-2-oxidanylidene-1H-imidazol-4-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-(3-isoquinolin-6-yl-2-oxidanylidene-1H-imidazol-4-yl)phenyl]propanoic acid Openeye Name: 3-[4-[3-(6-isoquinolyl)-2-oxo-1H-imidazol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(6-isoquinolinyl)-2-oxo-1H-imidazol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-(3-isoquinolin-6-yl-2-oxo-1H-imidazol-4-yl)phenyl]propanoic acid Traditional Name: 3-[4-[3-(6-isoquinolyl)-2-keto-4-imidazolin-4-yl]phenyl]propionic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C2=CNC(=O)N2C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C2=CNC(=O)N2C3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C21H17N3O3/c25-20(26)8-3-14-1-4-15(5-2-14)19-13-23-21(27)24(19)18-7-6-17-12-22-10-9-16(17)11-18/h1-2,4-7,9-13H,3,8H2,(H,23,27)(H,25,26)