[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O5/c1-17(21(28)27(15-9-14-25)20-12-6-5-7-13-20)31-22(29)18-10-8-11-19(16-18)26-23(30)32-24(2,3)4/h5-8,10-13,16-17H,9,15H2,1-4H3,(H,26,30)