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

Systemtic Name: O2-tert-butyl O4-methyl 5-[[(4-aminocarbonylphenyl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 5-[(4-carbamoylanilino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(4-carbamoylanilino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 5-[(4-carbamoylanilino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(4-carbamoylanilino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-6-14-16(19(26)28-5)15(24-17(14)20(27)29-21(2,3)4)11-23-13-9-7-12(8-10-13)18(22)25/h7-10,23-24H,6,11H2,1-5H3,(H2,22,25)