tert-butyl 2-(2-chloranylquinolin-3-yl)-5-oxidanyl-indole-1-carboxylate

Systemtic Name: tert-butyl 2-(2-chloranylquinolin-3-yl)-5-oxidanyl-indole-1-carboxylate Openeye Name: tert-butyl 2-(2-chloro-3-quinolyl)-5-hydroxy-indole-1-carboxylate CAS Name: 2-(2-chloro-3-quinolinyl)-5-hydroxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chloroquinolin-3-yl)-5-hydroxyindole-1-carboxylate Traditional Name: 2-(2-chloro-3-quinolyl)-5-hydroxy-indole-1-carboxylic acid tert-butyl ester Formula: C22H19ClN2O3 MolecularWeight: 394.85086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)O)C=C1C3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)O)C=C1C3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C22H19ClN2O3/c1-22(2,3)28-21(27)25-18-9-8-15(26)10-14(18)12-19(25)16-11-13-6-4-5-7-17(13)24-20(16)23/h4-12,26H,1-3H3