[(2S)-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] (2R)-2-(4-chloranylphenoxy)butanoate

Systemtic Name: [(2S)-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] (2R)-2-(4-chloranylphenoxy)butanoate Openeye Name: [(1S)-1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl] (2R)-2-(4-chlorophenoxy)butanoate CAS Name: (2R)-2-(4-chlorophenoxy)butanoic acid [(2S)-1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)butanoate Traditional Name: (2R)-2-(4-chlorophenoxy)butyric acid [(1S)-2-keto-1-methyl-2-(4-methylpiperazino)ethyl] ester Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)C(=O)N1CCN(CC1)C)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC[C@H](C(=O)O[C@@H](C)C(=O)N1CCN(CC1)C)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H25ClN2O4/c1-4-16(25-15-7-5-14(19)6-8-15)18(23)24-13(2)17(22)21-11-9-20(3)10-12-21/h5-8,13,16H,4,9-12H2,1-3H3/t13-,16+/m0/s1