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

Systemtic Name: O2-tert-butyl O4-ethyl 3-ethyl-5-[[(4-hydroxyphenyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-ethyl-5-[(4-hydroxyanilino)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[(4-hydroxyanilino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3-ethyl-5-[(4-hydroxyanilino)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[(4-hydroxyanilino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5/c1-6-15-17(19(25)27-7-2)16(12-22-13-8-10-14(24)11-9-13)23-18(15)20(26)28-21(3,4)5/h8-11,22-24H,6-7,12H2,1-5H3