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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C(=C(N1)CNC2=CC=C(C=C2)OC)C(=O)OCC)CC

Isomeric SMILES

CCCCNC(=O)C1=C(C(=C(N1)CNC2=CC=C(C=C2)OC)C(=O)OCC)CC

InChI

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