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

Systemtic Name: 4-[5-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]iminomethyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]iminomethyl]-2-furyl]benzoic acid CAS Name: 4-[5-[[1-methyl-5-[oxo(propylamino)methyl]-4-pyrazolyl]iminomethyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]iminomethyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]iminomethyl]-2-furyl]benzoic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C=NN1C)N=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCNC(=O)C1=C(C=NN1C)N=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20N4O4/c1-3-10-21-19(25)18-16(12-23-24(18)2)22-11-15-8-9-17(28-15)13-4-6-14(7-5-13)20(26)27/h4-9,11-12H,3,10H2,1-2H3,(H,21,25)(H,26,27)