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

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-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] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)O[C@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O3/c1-5-25-16(2)15-20(17(25)3)22(27)28-18(4)21(26)24-13-11-23(12-14-24)19-9-7-6-8-10-19/h6-10,15,18H,5,11-14H2,1-4H3/t18-/m1/s1