[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] naphthalene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] naphthalene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C22H17FN2O3 MolecularWeight: 376.380383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H17FN2O3/c23-19-8-10-20(11-9-19)25(13-3-12-24)21(26)15-28-22(27)18-7-6-16-4-1-2-5-17(16)14-18/h1-2,4-11,14H,3,13,15H2