[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C25H18BrFN2O3 MolecularWeight: 493.324423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H18BrFN2O3/c26-18-9-7-17(8-10-18)23-13-21(20-3-1-2-4-22(20)29-23)25(31)32-15-24(30)28-14-16-5-11-19(27)12-6-16/h1-13H,14-15H2,(H,28,30)