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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(C(CC3=CC=CC=C3)CC(=O)O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(C(CC3=CC=CC=C3)CC(=O)O)OC4=CC=CC=C4

InChI

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