4-[[3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazol-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]benzoic acid CAS Name: 4-[[[3-(2-benzofuranyl)-1-(2-cyanoethyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]benzoic acid Formula: C22H16N4O4 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C(=O)NC4=CC=C(C=C4)C(=O)O)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C(=O)NC4=CC=C(C=C4)C(=O)O)CCC#N

InChI

InChI=1S/C22H16N4O4/c23-10-3-11-26-13-17(21(27)24-16-8-6-14(7-9-16)22(28)29)20(25-26)19-12-15-4-1-2-5-18(15)30-19/h1-2,4-9,12-13H,3,11H2,(H,24,27)(H,28,29)