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

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: 2-(2-furoylamino)-3-phenyl-propionic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C25H22FN3O5 MolecularWeight: 463.457683

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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=CO3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)NC(=O)C3=CC=CO3

InChI

InChI=1S/C25H22FN3O5/c26-19-10-4-5-11-21(19)29(14-7-13-27)23(30)17-34-25(32)20(16-18-8-2-1-3-9-18)28-24(31)22-12-6-15-33-22/h1-6,8-12,15,20H,7,14,16-17H2,(H,28,31)