3-[4-carbamimidoyl-2-[2-[(1-pyridazin-3-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-carbamimidoyl-2-[2-[(1-pyridazin-3-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]propanoic acid Openeye Name: 3-[4-carbamimidoyl-2-[2-[(1-pyridazin-3-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid CAS Name: 3-[4-carbamimidoyl-2-[2-[[oxo-[1-(3-pyridazinyl)-4-piperidinyl]methyl]amino]ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-carbamimidoyl-2-[2-[(1-pyridazin-3-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid Traditional Name: 3-[4-amidino-2-[2-[(1-pyridazin-3-ylisonipecotoyl)amino]ethoxy]phenyl]propionic acid Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCOC2=C(C=CC(=C2)C(=N)N)CCC(=O)O)C3=NN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCOC2=C(C=CC(=C2)C(=N)N)CCC(=O)O)C3=NN=CC=C3

InChI

InChI=1S/C22H28N6O4/c23-21(24)17-4-3-15(5-6-20(29)30)18(14-17)32-13-10-25-22(31)16-7-11-28(12-8-16)19-2-1-9-26-27-19/h1-4,9,14,16H,5-8,10-13H2,(H3,23,24)(H,25,31)(H,29,30)