ethyl 4-(2,3-dimethyl-5-oxidanylidene-1H-pyrazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: ethyl 4-(2,3-dimethyl-5-oxidanylidene-1H-pyrazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: ethyl 2-(tert-butoxycarbonylamino)-4-(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)butanoate CAS Name: 4-(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(3-keto-1,5-dimethyl-3-pyrazolin-4-yl)butyric acid ethyl ester Formula: C16H27N3O5 MolecularWeight: 341.40268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=C(N(NC1=O)C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CCC1=C(N(NC1=O)C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H27N3O5/c1-7-23-14(21)12(17-15(22)24-16(3,4)5)9-8-11-10(2)19(6)18-13(11)20/h12H,7-9H2,1-6H3,(H,17,22)(H,18,20)