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

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-phenylbutanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O3/c1-2-19(16-7-4-3-5-8-16)21(26)27-15-20(25)24(14-6-13-23)18-11-9-17(22)10-12-18/h3-5,7-12,19H,2,6,14-15H2,1H3