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

Systemtic Name: 2-(3-methylphenoxy)-3-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Openeye Name: 2-(3-methylphenoxy)-3-oxo-2-[4-(4-pyridyl)piperazin-1-yl]butanoic acid CAS Name: 2-(3-methylphenoxy)-3-oxo-2-(4-pyridin-4-yl-1-piperazinyl)butanoic acid IUPAC Name: 2-(3-methylphenoxy)-3-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Traditional Name: 3-keto-2-(3-methylphenoxy)-2-[4-(4-pyridyl)piperazino]butyric acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C(=O)C)(C(=O)O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OC(C(=O)C)(C(=O)O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C20H23N3O4/c1-15-4-3-5-18(14-15)27-20(16(2)24,19(25)26)23-12-10-22(11-13-23)17-6-8-21-9-7-17/h3-9,14H,10-13H2,1-2H3,(H,25,26)