methyl 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[2-methyl-4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]acetate CAS Name: 2-[2-methyl-4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetate Traditional Name: 2-[2-methyl-4-[2-[4-(4-pyridyl)piperazino]acetyl]phenoxy]acetic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CN2CCN(CC2)C3=CC=NC=C3)OCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CN2CCN(CC2)C3=CC=NC=C3)OCC(=O)OC

InChI

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