3-[3-(4-isoquinolin-6-ylphenyl)-2-oxidanylidene-imidazolidin-1-yl]propanoic acid

Systemtic Name: 3-[3-(4-isoquinolin-6-ylphenyl)-2-oxidanylidene-imidazolidin-1-yl]propanoic acid Openeye Name: 3-[3-[4-(6-isoquinolyl)phenyl]-2-oxo-imidazolidin-1-yl]propanoic acid CAS Name: 3-[3-[4-(6-isoquinolinyl)phenyl]-2-oxo-1-imidazolidinyl]propanoic acid IUPAC Name: 3-[3-(4-isoquinolin-6-ylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid Traditional Name: 3-[3-[4-(6-isoquinolyl)phenyl]-2-keto-imidazolidin-1-yl]propionic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1CCC(=O)O)C2=CC=C(C=C2)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C1CN(C(=O)N1CCC(=O)O)C2=CC=C(C=C2)C3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C21H19N3O3/c25-20(26)8-10-23-11-12-24(21(23)27)19-5-3-15(4-6-19)16-1-2-18-14-22-9-7-17(18)13-16/h1-7,9,13-14H,8,10-12H2,(H,25,26)