[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C23H21BrN2O4 MolecularWeight: 469.32784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(OC1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN2O4/c24-16-9-7-15(8-10-16)21-12-19(18-5-1-2-6-20(18)26-21)23(28)30-14-22(27)25-13-17-4-3-11-29-17/h1-2,5-10,12,17H,3-4,11,13-14H2,(H,25,27)