O2-tert-butyl O4-ethyl 5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[(1,5-dimethyl-4-pyrazolyl)methylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OCC)CNCC2=C(N(N=C2)C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OCC)CNCC2=C(N(N=C2)C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N4O4/c1-8-15-17(19(26)28-9-2)16(24-18(15)20(27)29-21(4,5)6)12-22-10-14-11-23-25(7)13(14)3/h11,22,24H,8-10,12H2,1-7H3