methyl 3-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]propanoate Openeye Name: methyl 3-[4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenyl]propanoate CAS Name: 3-[4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]propanoate Traditional Name: 3-[4-[2-[4-(4-pyridyl)piperazino]acetyl]phenyl]propionic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H25N3O3/c1-27-21(26)7-4-17-2-5-18(6-3-17)20(25)16-23-12-14-24(15-13-23)19-8-10-22-11-9-19/h2-3,5-6,8-11H,4,7,12-16H2,1H3