2-butyloctyl 7-chloranyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: 2-butyloctyl 7-chloranyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: 2-butyloctyl 7-chloro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 7-chloro-4-oxo-1H-quinoline-3-carboxylic acid 2-butyloctyl ester IUPAC Name: 2-butyloctyl 7-chloro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 7-chloro-4-keto-1H-quinoline-3-carboxylic acid 2-butyloctyl ester Formula: C22H30ClNO3 MolecularWeight: 391.9315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)COC(=O)C1=CNC2=C(C1=O)C=CC(=C2)Cl

Isomeric SMILES

CCCCCCC(CCCC)COC(=O)C1=CNC2=C(C1=O)C=CC(=C2)Cl

InChI

InChI=1S/C22H30ClNO3/c1-3-5-7-8-10-16(9-6-4-2)15-27-22(26)19-14-24-20-13-17(23)11-12-18(20)21(19)25/h11-14,16H,3-10,15H2,1-2H3,(H,24,25)