2-[4-(2-methylpyridin-4-yl)piperazin-1-yl]-3-oxidanylidene-2-phenoxy-butanoic acid

Systemtic Name: 2-[4-(2-methylpyridin-4-yl)piperazin-1-yl]-3-oxidanylidene-2-phenoxy-butanoic acid Openeye Name: 2-[4-(2-methyl-4-pyridyl)piperazin-1-yl]-3-oxo-2-phenoxy-butanoic acid CAS Name: 2-[4-(2-methyl-4-pyridinyl)-1-piperazinyl]-3-oxo-2-phenoxybutanoic acid IUPAC Name: 2-[4-(2-methylpyridin-4-yl)piperazin-1-yl]-3-oxo-2-phenoxybutanoic acid Traditional Name: 3-keto-2-[4-(2-methyl-4-pyridyl)piperazino]-2-phenoxy-butyric acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N2CCN(CC2)C(C(=O)C)(C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CC1=NC=CC(=C1)N2CCN(CC2)C(C(=O)C)(C(=O)O)OC3=CC=CC=C3

InChI

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