ethyl 2-[4-[2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)ethanoyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)ethanoyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[2-[2-oxo-4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]acetate CAS Name: 2-[4-[1-oxo-2-(2-oxo-4-pyridin-4-yl-1-piperazinyl)ethyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(2-oxo-4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetate Traditional Name: 2-[4-[2-[2-keto-4-(4-pyridyl)piperazino]acetyl]phenoxy]acetic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)C(=O)CN2CCN(CC2=O)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)C(=O)CN2CCN(CC2=O)C3=CC=NC=C3

InChI

InChI=1S/C21H23N3O5/c1-2-28-21(27)15-29-18-5-3-16(4-6-18)19(25)13-24-12-11-23(14-20(24)26)17-7-9-22-10-8-17/h3-10H,2,11-15H2,1H3