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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O5/c1-16(2)32-23(29)21-17(3)22(25-18(21)4)24(30)31-15-20(28)27-12-10-26(11-13-27)14-19-8-6-5-7-9-19/h5-9,16,25H,10-15H2,1-4H3