2-(3-methoxyphenoxy)-3-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid

Systemtic Name: 2-(3-methoxyphenoxy)-3-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Openeye Name: 2-(3-methoxyphenoxy)-3-oxo-2-[4-(4-pyridyl)piperazin-1-yl]butanoic acid CAS Name: 2-(3-methoxyphenoxy)-3-oxo-2-(4-pyridin-4-yl-1-piperazinyl)butanoic acid IUPAC Name: 2-(3-methoxyphenoxy)-3-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Traditional Name: 3-keto-2-(3-methoxyphenoxy)-2-[4-(4-pyridyl)piperazino]butyric acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-15(24)20(19(25)26,28-18-5-3-4-17(14-18)27-2)23-12-10-22(11-13-23)16-6-8-21-9-7-16/h3-9,14H,10-13H2,1-2H3,(H,25,26)