4-cyanobutyl 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: 4-cyanobutyl 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: 4-cyanobutyl 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid 4-cyanobutyl ester IUPAC Name: 4-cyanobutyl 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid 4-cyanobutyl ester Formula: C21H17ClN2O2 MolecularWeight: 364.82488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCCCCC#N

InChI

InChI=1S/C21H17ClN2O2/c22-16-10-8-15(9-11-16)20-14-18(17-6-2-3-7-19(17)24-20)21(25)26-13-5-1-4-12-23/h2-3,6-11,14H,1,4-5,13H2