[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C27H24FN3O4 MolecularWeight: 473.495563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24FN3O4/c28-22-14-7-8-15-24(22)31(17-9-16-29)25(32)19-35-27(34)23(18-20-10-3-1-4-11-20)30-26(33)21-12-5-2-6-13-21/h1-8,10-15,23H,9,17-19H2,(H,30,33)