pentyl 2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: pentyl 2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: pentyl 2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-6,8-dimethyl-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-6,8-dimethyl-cinchoninic acid amyl ester Formula: C23H24BrNO2 MolecularWeight: 426.34616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrNO2/c1-4-5-6-11-27-23(26)20-14-21(17-7-9-18(24)10-8-17)25-22-16(3)12-15(2)13-19(20)22/h7-10,12-14H,4-6,11H2,1-3H3