3-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]methyl]pent-4-enoic acid

Systemtic Name: 3-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]methyl]pent-4-enoic acid Openeye Name: 3-[[4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]methyl]pent-4-enoic acid CAS Name: 3-[[4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]methyl]-4-pentenoic acid IUPAC Name: 3-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]methyl]pent-4-enoic acid Traditional Name: 3-[[4-[4-(4-pyridyl)piperazino]phenoxy]methyl]pent-4-enoic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(=O)O)COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

C=CC(CC(=O)O)COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H25N3O3/c1-2-17(15-21(25)26)16-27-20-5-3-18(4-6-20)23-11-13-24(14-12-23)19-7-9-22-10-8-19/h2-10,17H,1,11-16H2,(H,25,26)