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

Systemtic Name: O2-tert-butyl O4-methyl 5-[[1-(1H-benzimidazol-2-yl)ethylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 5-[[1-(1H-benzimidazol-2-yl)ethylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[1-(1H-benzimidazol-2-yl)ethylamino]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-[[1-(1H-benzimidazol-2-yl)ethylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[1-(1H-benzimidazol-2-yl)ethylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC(C)C2=NC3=CC=CC=C3N2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC(C)C2=NC3=CC=CC=C3N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H30N4O4/c1-7-14-18(21(28)30-6)17(25-19(14)22(29)31-23(3,4)5)12-24-13(2)20-26-15-10-8-9-11-16(15)27-20/h8-11,13,24-25H,7,12H2,1-6H3,(H,26,27)