3-[5-[[3-(furan-2-ylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[3-(furan-2-ylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[3-(2-furylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[[3-[(2-furanylmethylamino)-oxomethyl]-1-methyl-4-pyrazolyl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[3-(2-furfurylcarbamoyl)-1-methyl-pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C17H18N6O5 MolecularWeight: 386.36202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C17H18N6O5/c1-22-10-12(15(21-22)17(27)18-9-11-3-2-8-28-11)20-16(26)13-4-6-19-23(13)7-5-14(24)25/h2-4,6,8,10H,5,7,9H2,1H3,(H,18,27)(H,20,26)(H,24,25)