[(2S)-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(3-fluoranyl-4-phenyl-phenyl)propanoate

Systemtic Name: [(2S)-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(3-fluoranyl-4-phenyl-phenyl)propanoate Openeye Name: [(1S)-1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl] (2S)-2-(3-fluoro-4-phenyl-phenyl)propanoate CAS Name: (2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid [(2S)-1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl] (2S)-2-(3-fluoro-4-phenylphenyl)propanoate Traditional Name: (2S)-2-(3-fluoro-4-phenyl-phenyl)propionic acid [(1S)-2-keto-1-methyl-2-(4-methylpiperazino)ethyl] ester Formula: C23H27FN2O3 MolecularWeight: 398.470483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OC(C)C(=O)N3CCN(CC3)C

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O[C@@H](C)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C23H27FN2O3/c1-16(19-9-10-20(21(24)15-19)18-7-5-4-6-8-18)23(28)29-17(2)22(27)26-13-11-25(3)12-14-26/h4-10,15-17H,11-14H2,1-3H3/t16-,17-/m0/s1