[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-oxidanylnaphthalene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C22H17FN2O4 MolecularWeight: 392.379783

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H17FN2O4/c23-17-6-8-18(9-7-17)25(11-3-10-24)21(27)14-29-22(28)19-12-15-4-1-2-5-16(15)13-20(19)26/h1-2,4-9,12-13,26H,3,11,14H2