O4-ethyl O2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: 2-O-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester O4-ethyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H31N3O5/c1-5-31-23(29)20-16(2)21(25-17(20)3)24(30)32-18(4)22(28)27-13-11-26(12-14-27)15-19-9-7-6-8-10-19/h6-10,18,25H,5,11-15H2,1-4H3