2-[4-[[2-phenyl-2-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[2-phenyl-2-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-phenyl-2-(2-pyridylmethyl)piperazin-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[4-[[2-phenyl-2-(2-pyridinylmethyl)-1-piperazinyl]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[2-phenyl-2-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]acetic acid Traditional Name: 2-[4-[[2-phenyl-2-(2-pyridylmethyl)piperazino]methyl]phenyl]acetic acid Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)(CC2=CC=CC=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

C1CN(C(CN1)(CC2=CC=CC=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C25H27N3O2/c29-24(30)16-20-9-11-21(12-10-20)18-28-15-14-26-19-25(28,22-6-2-1-3-7-22)17-23-8-4-5-13-27-23/h1-13,26H,14-19H2,(H,29,30)