[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C24H26FN3O5 MolecularWeight: 455.478743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N(CCC#N)C1=CC=CC=C1F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N(CCC#N)C1=CC=CC=C1F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H26FN3O5/c1-17(2)22(27-24(31)33-15-18-9-4-3-5-10-18)23(30)32-16-21(29)28(14-8-13-26)20-12-7-6-11-19(20)25/h3-7,9-12,17,22H,8,14-16H2,1-2H3,(H,27,31)