ethyl 5-[[1,3-benzodioxol-5-ylmethyl-(4-chlorophenyl)carbonyl-amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[1,3-benzodioxol-5-ylmethyl-(4-chlorophenyl)carbonyl-amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[1,3-benzodioxol-5-ylmethyl-(4-chlorobenzoyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)-oxomethyl]amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1,3-benzodioxol-5-ylmethyl-(4-chlorobenzoyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[(4-chlorobenzoyl)-piperonyl-amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H25ClN2O5 MolecularWeight: 468.9294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H25ClN2O5/c1-4-31-25(30)23-15(2)20(27-16(23)3)13-28(24(29)18-6-8-19(26)9-7-18)12-17-5-10-21-22(11-17)33-14-32-21/h5-11,27H,4,12-14H2,1-3H3