2-(5-chloranyl-1H-indol-3-yl)-3-isoquinolin-3-yl-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(5-chloranyl-1H-indol-3-yl)-3-isoquinolin-3-yl-3-oxidanylidene-propanoic acid Openeye Name: 2-(5-chloro-1H-indol-3-yl)-3-(3-isoquinolyl)-3-oxo-propanoic acid CAS Name: 2-(5-chloro-1H-indol-3-yl)-3-(3-isoquinolinyl)-3-oxopropanoic acid IUPAC Name: 2-(5-chloro-1H-indol-3-yl)-3-isoquinolin-3-yl-3-oxopropanoic acid Traditional Name: 2-(5-chloro-1H-indol-3-yl)-3-(3-isoquinolyl)-3-keto-propionic acid Formula: C20H13ClN2O3 MolecularWeight: 364.78182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)C(C3=CNC4=C3C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)C(C3=CNC4=C3C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C20H13ClN2O3/c21-13-5-6-16-14(8-13)15(10-23-16)18(20(25)26)19(24)17-7-11-3-1-2-4-12(11)9-22-17/h1-10,18,23H,(H,25,26)