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

Systemtic Name: tert-butyl 3-ethyl-4-(2-hydroxyethylcarbamoyl)-5-[[(4-methoxyphenyl)amino]methyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-ethyl-4-(2-hydroxyethylcarbamoyl)-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-ethyl-4-[(2-hydroxyethylamino)-oxomethyl]-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-4-(2-hydroxyethylcarbamoyl)-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-ethyl-4-(2-hydroxyethylcarbamoyl)-5-(p-anisidinomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5/c1-6-16-18(20(27)23-11-12-26)17(25-19(16)21(28)30-22(2,3)4)13-24-14-7-9-15(29-5)10-8-14/h7-10,24-26H,6,11-13H2,1-5H3,(H,23,27)