[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3,3-diphenylpropanoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3,3-diphenylpropanoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 3,3-diphenylpropanoate CAS Name: 3,3-diphenylpropanoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 3,3-diphenylpropanoate Traditional Name: 3,3-diphenylpropionic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C26H23FN2O3 MolecularWeight: 430.470823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)C3=CC=CC=C3

InChI

InChI=1S/C26H23FN2O3/c27-23-14-7-8-15-24(23)29(17-9-16-28)25(30)19-32-26(31)18-22(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-15,22H,9,17-19H2