diethyl 3-methyl-5-[(2-propylbenzimidazol-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(2-propylbenzimidazol-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(2-propylbenzimidazol-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[(2-propyl-1-benzimidazolyl)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(2-propylbenzimidazol-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-propylbenzimidazol-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2N1CC3=C(C(=C(N3)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCCC1=NC2=CC=CC=C2N1CC3=C(C(=C(N3)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C22H27N3O4/c1-5-10-18-23-15-11-8-9-12-17(15)25(18)13-16-19(21(26)28-6-2)14(4)20(24-16)22(27)29-7-3/h8-9,11-12,24H,5-7,10,13H2,1-4H3