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

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[(4-phenoxyphenyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 3-ethyl-5-[(4-phenoxyanilino)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[(4-phenoxyanilino)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-phenoxyanilino)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[(4-phenoxyanilino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H30N2O5/c1-6-20-22(24(29)31-5)21(28-23(20)25(30)33-26(2,3)4)16-27-17-12-14-19(15-13-17)32-18-10-8-7-9-11-18/h7-15,27-28H,6,16H2,1-5H3