[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C23H18FN3O3 MolecularWeight: 403.405723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C=CC(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)/C=C/C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F)N=CC=C2

InChI

InChI=1S/C23H18FN3O3/c24-19-8-10-20(11-9-19)27(15-3-13-25)21(28)16-30-22(29)12-7-18-5-1-4-17-6-2-14-26-23(17)18/h1-2,4-12,14H,3,15-16H2/b12-7+