[(2S)-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-phenoxyphenyl)propanoate

Systemtic Name: [(2S)-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-phenoxyphenyl)propanoate Openeye Name: [(1S)-1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl] (2S)-2-(4-phenoxyphenyl)propanoate CAS Name: (2S)-2-(4-phenoxyphenyl)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-(4-phenoxyphenyl)propanoate Traditional Name: (2S)-2-(4-phenoxyphenyl)propionic acid [(1S)-2-keto-1-methyl-2-(4-methylpiperazino)ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)OC(C)C(=O)N3CCN(CC3)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O[C@@H](C)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C23H28N2O4/c1-17(19-9-11-21(12-10-19)29-20-7-5-4-6-8-20)23(27)28-18(2)22(26)25-15-13-24(3)14-16-25/h4-12,17-18H,13-16H2,1-3H3/t17-,18-/m0/s1