[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-fluoranylphenoxy)-2-methyl-propanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-fluoranylphenoxy)-2-methyl-propanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-fluorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-fluorophenoxy)-2-methylpropanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-fluorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-fluorophenoxy)-2-methyl-propionic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O4/c1-22(2,29-19-10-8-17(23)9-11-19)21(27)28-16-20(26)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3