3-[[4-[(1-phenyl-5-propyl-pyrazol-4-yl)methylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(1-phenyl-5-propyl-pyrazol-4-yl)methylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(1-phenyl-5-propyl-pyrazol-4-yl)methylamino]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[(1-phenyl-5-propyl-4-pyrazolyl)methylamino]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[(1-phenyl-5-propylpyrazol-4-yl)methylamino]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(1-phenyl-5-propyl-pyrazol-4-yl)methylamino]benzoyl]amino]propionic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)CNC3=CC=C(C=C3)C(=O)NCCC(=O)O

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)CNC3=CC=C(C=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C23H26N4O3/c1-2-6-21-18(16-26-27(21)20-7-4-3-5-8-20)15-25-19-11-9-17(10-12-19)23(30)24-14-13-22(28)29/h3-5,7-12,16,25H,2,6,13-15H2,1H3,(H,24,30)(H,28,29)