[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic 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-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC(=CN3C)C(=O)C

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC(=CN3C)C(=O)C

InChI

InChI=1S/C21H25N3O4/c1-15(25)17-13-19(22(3)14-17)21(27)28-16(2)20(26)24-11-9-23(10-12-24)18-7-5-4-6-8-18/h4-8,13-14,16H,9-12H2,1-3H3/t16-/m1/s1