3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)NCCC(=O)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)NCCC(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C18H21N5O3/c24-16(25)6-9-19-17(26)14-2-4-15(5-3-14)22-10-12-23(13-11-22)18-20-7-1-8-21-18/h1-5,7-8H,6,9-13H2,(H,19,26)(H,24,25)