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

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

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H20ClNO3/c1-3-4-5-13-6-8-18-15(10-13)16(21(24)25)12-19(23-18)17-11-14(22)7-9-20(17)26-2/h6-12H,3-5H2,1-2H3,(H,24,25)