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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-6-17-19(22(27)29-7-2)18(25-20(17)21(26)24-12-14(3)4)13-23-15-8-10-16(28-5)11-9-15/h8-11,14,23,25H,6-7,12-13H2,1-5H3,(H,24,26)