2-[3-[1-(5-oxidanylpyridin-2-yl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[3-[1-(5-oxidanylpyridin-2-yl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 2-[3-[1-(5-hydroxy-2-pyridyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid CAS Name: 2-[[3-[1-(5-hydroxy-2-pyridinyl)-4-pyrazolyl]-1-oxopropyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[3-[1-(5-hydroxypyridin-2-yl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid Traditional Name: 2-[3-[1-(5-hydroxy-2-pyridyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=CN(N=C2)C3=NC=C(C=C3)O

Isomeric SMILES

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=CN(N=C2)C3=NC=C(C=C3)O

InChI

InChI=1S/C18H20N4O4/c23-13-6-7-16(19-10-13)22-11-12(9-20-22)5-8-17(24)21-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,23H,1-5,8H2,(H,21,24)(H,25,26)