[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O4/c1-2-20(29-19-9-4-3-5-10-19)22(27)28-16-21(26)25-13-11-24(12-14-25)18-8-6-7-17(23)15-18/h3-10,15,20H,2,11-14,16H2,1H3/t20-/m1/s1