ethyl 5-[2-[4-(3-chlorophenyl)piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[4-(3-chlorophenyl)piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[4-(3-chlorophenyl)piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[4-(3-chlorophenyl)piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(3-chlorophenyl)piperazino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)N2CCN(CC2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)N2CCN(CC2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C22H28ClN3O3/c1-5-29-22(28)19-14(2)20(24-15(19)3)21(27)16(4)25-9-11-26(12-10-25)18-8-6-7-17(23)13-18/h6-8,13,16,24H,5,9-12H2,1-4H3