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

Systemtic Name: tert-butyl 3-ethyl-4-(ethylcarbamoyl)-5-[[(4-methoxyphenyl)amino]methyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-ethyl-4-(ethylcarbamoyl)-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-ethyl-4-(ethylcarbamoyl)-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-4-(ethylcarbamoyl)-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-ethyl-4-(ethylcarbamoyl)-5-(p-anisidinomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-7-16-18(20(26)23-8-2)17(25-19(16)21(27)29-22(3,4)5)13-24-14-9-11-15(28-6)12-10-14/h9-12,24-25H,7-8,13H2,1-6H3,(H,23,26)