2-(methylamino)-3-oxidanylidene-3-phenyl-2-(2-pyridin-4-ylpiperazin-1-yl)propanoic acid

Systemtic Name: 2-(methylamino)-3-oxidanylidene-3-phenyl-2-(2-pyridin-4-ylpiperazin-1-yl)propanoic acid Openeye Name: 2-(methylamino)-3-oxo-3-phenyl-2-[2-(4-pyridyl)piperazin-1-yl]propanoic acid CAS Name: 2-(methylamino)-3-oxo-3-phenyl-2-(2-pyridin-4-yl-1-piperazinyl)propanoic acid IUPAC Name: 2-(methylamino)-3-oxo-3-phenyl-2-(2-pyridin-4-ylpiperazin-1-yl)propanoic acid Traditional Name: 3-keto-2-(methylamino)-3-phenyl-2-[2-(4-pyridyl)piperazino]propionic acid Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C(=O)C1=CC=CC=C1)(C(=O)O)N2CCNCC2C3=CC=NC=C3

Isomeric SMILES

CNC(C(=O)C1=CC=CC=C1)(C(=O)O)N2CCNCC2C3=CC=NC=C3

InChI

InChI=1S/C19H22N4O3/c1-20-19(18(25)26,17(24)15-5-3-2-4-6-15)23-12-11-22-13-16(23)14-7-9-21-10-8-14/h2-10,16,20,22H,11-13H2,1H3,(H,25,26)