[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5/c1-18(2)22(27-25(31)32-17-20-11-6-4-7-12-20)24(30)33-19(3)23(29)28(16-10-15-26)21-13-8-5-9-14-21/h4-9,11-14,18-19,22H,10,16-17H2,1-3H3,(H,27,31)