2-[2-phenoxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(N1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC(CC(N1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3)C(=O)O

InChI

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