tert-butyl 4-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-ethyl-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylate CAS Name: 4-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-3-ethyl-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-ethyl-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-ethyl-5-(p-anisidinomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C28H33N5O4 MolecularWeight: 503.59272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)NCC2=NC3=CC=CC=C3N2)CNC4=CC=C(C=C4)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)NCC2=NC3=CC=CC=C3N2)CNC4=CC=C(C=C4)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H33N5O4/c1-6-19-24(26(34)30-16-23-31-20-9-7-8-10-21(20)32-23)22(33-25(19)27(35)37-28(2,3)4)15-29-17-11-13-18(36-5)14-12-17/h7-14,29,33H,6,15-16H2,1-5H3,(H,30,34)(H,31,32)