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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-(4-fluoranylphenoxy)propanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-(4-fluorophenoxy)propanoate CAS Name: (2S)-2-(4-fluorophenoxy)propanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-(4-fluorophenoxy)propanoate Traditional Name: (2S)-2-(4-fluorophenoxy)propionic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H23FN2O4 MolecularWeight: 386.416723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O4/c1-16(28-19-9-7-17(22)8-10-19)21(26)27-15-20(25)24-13-11-23(12-14-24)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3/t16-/m0/s1