pentyl 8-chloranyl-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: pentyl 8-chloranyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: pentyl 8-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 8-chloro-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 8-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 8-chloro-2-(4-methoxyphenyl)cinchoninic acid amyl ester Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=NC2=C1C=CC=C2Cl)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCOC(=O)C1=CC(=NC2=C1C=CC=C2Cl)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22ClNO3/c1-3-4-5-13-27-22(25)18-14-20(15-9-11-16(26-2)12-10-15)24-21-17(18)7-6-8-19(21)23/h6-12,14H,3-5,13H2,1-2H3