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

Systemtic Name: diethyl 3-methyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[(4-phenyl-1-piperazinyl)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-phenylpiperazino)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-4-28-21(26)19-16(3)20(22(27)29-5-2)23-18(19)15-24-11-13-25(14-12-24)17-9-7-6-8-10-17/h6-10,23H,4-5,11-15H2,1-3H3