(3R)-5-oxidanylidene-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid

Systemtic Name: (3R)-5-oxidanylidene-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid Openeye Name: (3R)-5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid CAS Name: (3R)-5-oxo-3-phenyl-5-[4-(2-pyrimidinyl)-1-piperazinyl]pentanoic acid IUPAC Name: (3R)-5-oxo-3-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid Traditional Name: (3R)-5-keto-3-phenyl-5-[4-(2-pyrimidyl)piperazino]valeric acid Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C[C@H](CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3/c24-17(13-16(14-18(25)26)15-5-2-1-3-6-15)22-9-11-23(12-10-22)19-20-7-4-8-21-19/h1-8,16H,9-14H2,(H,25,26)/t16-/m1/s1