[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-chloro-2,6-dimethyl-phenoxy)acetate CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)acetic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)acetic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C)Cl

InChI

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