2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid 2-phthalimidoethyl ester Formula: C26H17FN2O4 MolecularWeight: 440.422583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H17FN2O4/c27-17-11-9-16(10-12-17)23-15-21(18-5-3-4-8-22(18)28-23)26(32)33-14-13-29-24(30)19-6-1-2-7-20(19)25(29)31/h1-12,15H,13-14H2