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

Systemtic Name: 4-[5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]iminomethyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]iminomethyl]-2-furyl]benzoic acid CAS Name: 4-[5-[[1-ethyl-3-[oxo(propylamino)methyl]-4-pyrazolyl]iminomethyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]iminomethyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]iminomethyl]-2-furyl]benzoic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=NN(C=C1N=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)CC

Isomeric SMILES

CCCNC(=O)C1=NN(C=C1N=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)CC

InChI

InChI=1S/C21H22N4O4/c1-3-11-22-20(26)19-17(13-25(4-2)24-19)23-12-16-9-10-18(29-16)14-5-7-15(8-6-14)21(27)28/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,26)(H,27,28)