3-oxidanylidene-2-(phenoxymethyl)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]butanoic acid

Systemtic Name: 3-oxidanylidene-2-(phenoxymethyl)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]butanoic acid Openeye Name: 3-oxo-2-(phenoxymethyl)-2-[[4-(4-pyridyl)piperazin-1-yl]methyl]butanoic acid CAS Name: 3-oxo-2-(phenoxymethyl)-2-[(4-pyridin-4-yl-1-piperazinyl)methyl]butanoic acid IUPAC Name: 3-oxo-2-(phenoxymethyl)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]butanoic acid Traditional Name: 3-keto-2-(phenoxymethyl)-2-[[4-(4-pyridyl)piperazino]methyl]butyric acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CN1CCN(CC1)C2=CC=NC=C2)(COC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)C(CN1CCN(CC1)C2=CC=NC=C2)(COC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H25N3O4/c1-17(25)21(20(26)27,16-28-19-5-3-2-4-6-19)15-23-11-13-24(14-12-23)18-7-9-22-10-8-18/h2-10H,11-16H2,1H3,(H,26,27)