pentyl 6-chloranyl-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: pentyl 6-chloranyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: pentyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-chloro-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-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=C(C=C2)Cl)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)OC

InChI

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