[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)O[C@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-14-19(16(3)26)15(2)23-20(14)22(28)29-17(4)21(27)25-12-10-24(11-13-25)18-8-6-5-7-9-18/h5-9,17,23H,10-13H2,1-4H3/t17-/m1/s1