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

Systemtic Name: 2-[6-chloranyl-2-(5,6,7,8-tetrahydroisoquinolin-3-ylcarbonyl)-1H-indol-3-yl]ethanoate Openeye Name: 2-[6-chloro-2-(5,6,7,8-tetrahydroisoquinoline-3-carbonyl)-1H-indol-3-yl]acetate CAS Name: 2-[6-chloro-2-[oxo(5,6,7,8-tetrahydroisoquinolin-3-yl)methyl]-1H-indol-3-yl]acetate IUPAC Name: 2-[6-chloro-2-(5,6,7,8-tetrahydroisoquinoline-3-carbonyl)-1H-indol-3-yl]acetate Traditional Name: 2-[6-chloro-2-(5,6,7,8-tetrahydroisoquinoline-3-carbonyl)-1H-indol-3-yl]acetate Formula: C20H16ClN2O3- MolecularWeight: 367.80564

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)/p-1