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

Systemtic Name: 2-[2-phenoxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pent-4-enoic acid Openeye Name: 2-[2-phenoxy-2-[4-(4-pyridyl)piperazin-1-yl]ethyl]pent-4-enoic acid CAS Name: 2-[2-phenoxy-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]-4-pentenoic acid IUPAC Name: 2-[2-phenoxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pent-4-enoic acid Traditional Name: 2-[2-phenoxy-2-[4-(4-pyridyl)piperazino]ethyl]pent-4-enoic acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/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/h2-5,7-12,18,21H,1,6,13-17H2,(H,26,27)