2-[6-chloranyl-2-(5,6,7,8-tetrahydroisoquinolin-3-ylcarbonyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-2-(5,6,7,8-tetrahydroisoquinolin-3-ylcarbonyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[6-chloro-2-(5,6,7,8-tetrahydroisoquinoline-3-carbonyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[6-chloro-2-[oxo(5,6,7,8-tetrahydroisoquinolin-3-yl)methyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[6-chloro-2-(5,6,7,8-tetrahydroisoquinoline-3-carbonyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[6-chloro-2-(5,6,7,8-tetrahydroisoquinoline-3-carbonyl)-1H-indol-3-yl]acetic acid Formula: C20H17ClN2O3 MolecularWeight: 368.81358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=CN=C(C=C2C1)C(=O)C3=C(C4=C(N3)C=C(C=C4)Cl)CC(=O)O

Isomeric SMILES

C1CCC2=CN=C(C=C2C1)C(=O)C3=C(C4=C(N3)C=C(C=C4)Cl)CC(=O)O

InChI

InChI=1S/C20H17ClN2O3/c21-13-5-6-14-15(9-18(24)25)19(23-16(14)8-13)20(26)17-7-11-3-1-2-4-12(11)10-22-17/h5-8,10,23H,1-4,9H2,(H,24,25)