O2-tert-butyl O4-methyl 3-ethyl-5-[[(4-pyrazol-1-ylphenyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[(4-pyrazol-1-ylphenyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 3-ethyl-5-[(4-pyrazol-1-ylanilino)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[[4-(1-pyrazolyl)anilino]methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 3-ethyl-5-[(4-pyrazol-1-ylanilino)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[(4-pyrazol-1-ylanilino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC2=CC=C(C=C2)N3C=CC=N3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC2=CC=C(C=C2)N3C=CC=N3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H28N4O4/c1-6-17-19(21(28)30-5)18(26-20(17)22(29)31-23(2,3)4)14-24-15-8-10-16(11-9-15)27-13-7-12-25-27/h7-13,24,26H,6,14H2,1-5H3