[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H23BrN2O3 MolecularWeight: 467.35502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H23BrN2O3/c1-15(23(28)26-18-6-2-3-7-18)30-24(29)20-14-22(16-10-12-17(25)13-11-16)27-21-9-5-4-8-19(20)21/h4-5,8-15,18H,2-3,6-7H2,1H3,(H,26,28)