[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)C

InChI

InChI=1S/C21H25N3O4/c1-16-11-17(2)13-18(12-16)27-15-21(26)28-14-20(25)24-9-7-23(8-10-24)19-5-3-4-6-22-19/h3-6,11-13H,7-10,14-15H2,1-2H3