[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-[(tert-butoxycarbonylamino)methyl]benzoate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]benzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC=C(C=C2)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC=C(C=C2)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N4O5/c1-14(2)25-17(10-11-23-25)24-18(26)13-29-19(27)16-8-6-15(7-9-16)12-22-20(28)30-21(3,4)5/h6-11,14H,12-13H2,1-5H3,(H,22,28)(H,24,26)