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

Systemtic Name: 2-azanyl-3-[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[[4-(2-pyrimidyl)piperazino]methyl]phenyl]propionic acid Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)CC(C(=O)O)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)CC(C(=O)O)N)C3=NC=CC=N3

InChI

InChI=1S/C18H23N5O2/c19-16(17(24)25)12-14-3-1-4-15(11-14)13-22-7-9-23(10-8-22)18-20-5-2-6-21-18/h1-6,11,16H,7-10,12-13,19H2,(H,24,25)