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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[4-(phenylcarbonyl)piperazin-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(4-benzoylpiperazin-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(4-benzoyl-1-piperazinyl)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(4-benzoylpiperazin-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-benzoylpiperazino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-14-18(22(28)29-4)15(2)23-19(14)20(26)16(3)24-10-12-25(13-11-24)21(27)17-8-6-5-7-9-17/h5-9,16,23H,10-13H2,1-4H3