diethyl 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[4-(2-chlorophenyl)piperazino]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CN2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CN2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H28ClN3O4/c1-4-29-21(27)19-15(3)20(22(28)30-5-2)24-17(19)14-25-10-12-26(13-11-25)18-9-7-6-8-16(18)23/h6-9,24H,4-5,10-14H2,1-3H3