[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-[(tert-butoxycarbonylamino)methyl]benzoate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C18H23N3O5/c1-18(2,3)26-17(24)21-11-13-5-7-14(8-6-13)16(23)25-12-15(22)20-10-4-9-19/h5-8H,4,10-12H2,1-3H3,(H,20,22)(H,21,24)