3-(phenylmethyl)-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid

Systemtic Name: 3-(phenylmethyl)-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid Openeye Name: 3-benzyl-4-[4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]butanoic acid CAS Name: 3-(phenylmethyl)-4-[4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid IUPAC Name: 3-benzyl-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid Traditional Name: 3-benzyl-4-[4-[4-(4-pyridyl)piperazino]phenoxy]butyric acid Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)OCC(CC3=CC=CC=C3)CC(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)OCC(CC3=CC=CC=C3)CC(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C26H29N3O3/c30-26(31)19-22(18-21-4-2-1-3-5-21)20-32-25-8-6-23(7-9-25)28-14-16-29(17-15-28)24-10-12-27-13-11-24/h1-13,22H,14-20H2,(H,30,31)