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

Systemtic Name: 3-phenyl-2-[[3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[3-[[4-(4-pyridyl)piperazin-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: 2-[[oxo-[3-[(4-pyridin-4-yl-1-piperazinyl)methyl]phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-phenyl-2-[[3-[[4-(4-pyridyl)piperazino]methyl]benzoyl]amino]propionic acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C26H28N4O3/c31-25(28-24(26(32)33)18-20-5-2-1-3-6-20)22-8-4-7-21(17-22)19-29-13-15-30(16-14-29)23-9-11-27-12-10-23/h1-12,17,24H,13-16,18-19H2,(H,28,31)(H,32,33)