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

Systemtic Name: 3-phenyl-2-[[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[4-[2-(4-pyridyl)piperazin-1-yl]benzoyl]amino]propanoic acid CAS Name: 2-[[oxo-[4-(2-pyridin-4-yl-1-piperazinyl)phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid Traditional Name: 3-phenyl-2-[[4-[2-(4-pyridyl)piperazino]benzoyl]amino]propionic acid Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C2=CC=NC=C2)C3=CC=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(C(CN1)C2=CC=NC=C2)C3=CC=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H26N4O3/c30-24(28-22(25(31)32)16-18-4-2-1-3-5-18)20-6-8-21(9-7-20)29-15-14-27-17-23(29)19-10-12-26-13-11-19/h1-13,22-23,27H,14-17H2,(H,28,30)(H,31,32)