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

Systemtic Name: 2-(5-chloranyl-2-isoquinolin-3-ylcarbonyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[5-chloro-2-(isoquinoline-3-carbonyl)-1H-indol-3-yl]propanoic acid CAS Name: 2-[5-chloro-2-[3-isoquinolinyl(oxo)methyl]-1H-indol-3-yl]propanoic acid IUPAC Name: 2-[5-chloro-2-(isoquinoline-3-carbonyl)-1H-indol-3-yl]propanoic acid Traditional Name: 2-[5-chloro-2-(isoquinoline-3-carbonyl)-1H-indol-3-yl]propionic acid Formula: C21H15ClN2O3 MolecularWeight: 378.8084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(NC2=C1C=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4C=N3)C(=O)O

Isomeric SMILES

CC(C1=C(NC2=C1C=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4C=N3)C(=O)O

InChI

InChI=1S/C21H15ClN2O3/c1-11(21(26)27)18-15-9-14(22)6-7-16(15)24-19(18)20(25)17-8-12-4-2-3-5-13(12)10-23-17/h2-11,24H,1H3,(H,26,27)