[4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H22BrNO3/c1-3-19-15(2)22(18-7-4-5-8-20(18)25-19)23(27)28-14-6-9-21(26)16-10-12-17(24)13-11-16/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3