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

Systemtic Name: tert-butyl 3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-4-(pyridin-2-ylmethylcarbamoyl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-ethyl-5-[(4-methoxyanilino)methyl]-4-(2-pyridylmethylcarbamoyl)-1H-pyrrole-2-carboxylate CAS Name: 3-ethyl-5-[(4-methoxyanilino)methyl]-4-[oxo-(2-pyridinylmethylamino)methyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-5-[(4-methoxyanilino)methyl]-4-(pyridin-2-ylmethylcarbamoyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-ethyl-5-(p-anisidinomethyl)-4-(2-pyridylmethylcarbamoyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)NCC2=CC=CC=N2)CNC3=CC=C(C=C3)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)NCC2=CC=CC=N2)CNC3=CC=C(C=C3)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H32N4O4/c1-6-20-22(24(31)29-15-18-9-7-8-14-27-18)21(30-23(20)25(32)34-26(2,3)4)16-28-17-10-12-19(33-5)13-11-17/h7-14,28,30H,6,15-16H2,1-5H3,(H,29,31)