pentyl 2-(4-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate

Systemtic Name: pentyl 2-(4-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate Openeye Name: pentyl 2-(4-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-3,6,8-trimethyl-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)-3,6,8-trimethyl-cinchoninic acid amyl ester Formula: C24H26ClNO2 MolecularWeight: 395.92174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C(=NC2=C(C=C(C=C12)C)C)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCCOC(=O)C1=C(C(=NC2=C(C=C(C=C12)C)C)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C24H26ClNO2/c1-5-6-7-12-28-24(27)21-17(4)23(18-8-10-19(25)11-9-18)26-22-16(3)13-15(2)14-20(21)22/h8-11,13-14H,5-7,12H2,1-4H3