methyl 3-[2-(4-bromophenyl)ethyl]-6-methyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: methyl 3-[2-(4-bromophenyl)ethyl]-6-methyl-2-propyl-quinoline-4-carboxylate Openeye Name: methyl 3-[2-(4-bromophenyl)ethyl]-6-methyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-[2-(4-bromophenyl)ethyl]-6-methyl-2-propyl-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-bromophenyl)ethyl]-6-methyl-2-propylquinoline-4-carboxylate Traditional Name: 3-[2-(4-bromophenyl)ethyl]-6-methyl-2-propyl-cinchoninic acid methyl ester Formula: C23H24BrNO2 MolecularWeight: 426.34616

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C=C(C=CC2=N1)C)C(=O)OC)CCC3=CC=C(C=C3)Br

Isomeric SMILES

CCCC1=C(C(=C2C=C(C=CC2=N1)C)C(=O)OC)CCC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H24BrNO2/c1-4-5-20-18(12-9-16-7-10-17(24)11-8-16)22(23(26)27-3)19-14-15(2)6-13-21(19)25-20/h6-8,10-11,13-14H,4-5,9,12H2,1-3H3