ethyl 5-[2-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]pentanoate

Systemtic Name: ethyl 5-[2-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]pentanoate Openeye Name: ethyl 5-[2-[4-(4-pyridyl)piperazin-1-yl]phenoxy]pentanoate CAS Name: 5-[2-(4-pyridin-4-yl-1-piperazinyl)phenoxy]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]pentanoate Traditional Name: 5-[2-[4-(4-pyridyl)piperazino]phenoxy]valeric acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCOC1=CC=CC=C1N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CCCCOC1=CC=CC=C1N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C22H29N3O3/c1-2-27-22(26)9-5-6-18-28-21-8-4-3-7-20(21)25-16-14-24(15-17-25)19-10-12-23-13-11-19/h3-4,7-8,10-13H,2,5-6,9,14-18H2,1H3