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

Systemtic Name: 3-[5-[[5-(furan-2-ylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]iminomethyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[[5-(2-furylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]iminomethyl]-2-furyl]benzoic acid CAS Name: 3-[5-[[5-[(2-furanylmethylamino)-oxomethyl]-1-methyl-4-pyrazolyl]iminomethyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]iminomethyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[[5-(2-furfurylcarbamoyl)-1-methyl-pyrazol-4-yl]iminomethyl]-2-furyl]benzoic acid Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)N=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C(=O)NCC4=CC=CO4

Isomeric SMILES

CN1C(=C(C=N1)N=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H18N4O5/c1-26-20(21(27)24-11-16-6-3-9-30-16)18(13-25-26)23-12-17-7-8-19(31-17)14-4-2-5-15(10-14)22(28)29/h2-10,12-13H,11H2,1H3,(H,24,27)(H,28,29)