[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2-chloranyl-5-methyl-phenoxy)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2-chloranyl-5-methyl-phenoxy)ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-5-methyl-phenoxy)acetate CAS Name: 2-(2-chloro-5-methylphenoxy)acetic acid [(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2-chloro-5-methylphenoxy)acetate Traditional Name: 2-(2-chloro-5-methyl-phenoxy)acetic acid [(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(=O)O[C@@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O4/c1-16-8-9-19(23)20(14-16)28-15-21(26)29-17(2)22(27)25-12-10-24(11-13-25)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3/t17-/m0/s1