[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C25H18FN3O4 MolecularWeight: 443.426523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC(=O)N(CCC#N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC(=O)N(CCC#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H18FN3O4/c26-17-8-10-18(11-9-17)29(13-4-12-27)24(30)16-33-25(31)20-15-22(23-7-3-14-32-23)28-21-6-2-1-5-19(20)21/h1-3,5-11,14-15H,4,13,16H2