ethyl 2-[3-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]pentanoate

Systemtic Name: ethyl 2-[3-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]pentanoate Openeye Name: ethyl 2-[3-[4-(4-pyridyl)piperazin-1-yl]phenoxy]pentanoate CAS Name: 2-[3-(4-pyridin-4-yl-1-piperazinyl)phenoxy]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]pentanoate Traditional Name: 2-[3-[4-(4-pyridyl)piperazino]phenoxy]valeric acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)OC1=CC=CC(=C1)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCCC(C(=O)OCC)OC1=CC=CC(=C1)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C22H29N3O3/c1-3-6-21(22(26)27-4-2)28-20-8-5-7-19(17-20)25-15-13-24(14-16-25)18-9-11-23-12-10-18/h5,7-12,17,21H,3-4,6,13-16H2,1-2H3