pentyl 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: pentyl 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: pentyl 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-8-methyl-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-8-methyl-cinchoninic acid amyl ester Formula: C22H22BrNO2 MolecularWeight: 412.31958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=NC2=C1C=CC=C2C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCOC(=O)C1=CC(=NC2=C1C=CC=C2C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrNO2/c1-3-4-5-13-26-22(25)19-14-20(16-9-11-17(23)12-10-16)24-21-15(2)7-6-8-18(19)21/h6-12,14H,3-5,13H2,1-2H3