O4-methyl O2-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-methyl O2-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: 4-O-methyl 2-O-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester O4-methyl ester Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)O[C@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C23H29N3O5/c1-5-18-19(22(28)30-4)15(2)20(24-18)23(29)31-16(3)21(27)26-13-11-25(12-14-26)17-9-7-6-8-10-17/h6-10,16,24H,5,11-14H2,1-4H3/t16-/m1/s1