6-tert-butyl-2-(5-chloranyl-2-methoxy-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-tert-butyl-2-(5-chloranyl-2-methoxy-phenyl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(5-chloro-2-methoxy-phenyl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(5-chloro-2-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(5-chloro-2-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(5-chloro-2-methoxy-phenyl)cinchoninic acid Formula: C21H20ClNO3 MolecularWeight: 369.8414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H20ClNO3/c1-21(2,3)12-5-7-17-14(9-12)15(20(24)25)11-18(23-17)16-10-13(22)6-8-19(16)26-4/h5-11H,1-4H3,(H,24,25)