1-(furan-2-yl)ethanone; 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]cyclohexene-1-carboxylic acid

Systemtic Name: 1-(furan-2-yl)ethanone; 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]cyclohexene-1-carboxylic acid Openeye Name: 1-(2-furyl)ethanone; 2-[5-(2-furyl)-1H-pyrazol-3-yl]cyclohexene-1-carboxylic acid CAS Name: 1-(2-furanyl)ethanone; 2-[5-(2-furanyl)-1H-pyrazol-3-yl]-1-cyclohexenecarboxylic acid IUPAC Name: 1-(furan-2-yl)ethanone; 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]cyclohexene-1-carboxylic acid Traditional Name: 1-(2-furyl)ethanone; 2-[5-(2-furyl)-1H-pyrazol-3-yl]cyclohexene-1-carboxylic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CO1.C1CCC(=C(C1)C2=NNC(=C2)C3=CC=CO3)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=CO1.C1CCC(=C(C1)C2=NNC(=C2)C3=CC=CO3)C(=O)O

InChI

InChI=1S/C14H14N2O3.C6H6O2/c17-14(18)10-5-2-1-4-9(10)11-8-12(16-15-11)13-6-3-7-19-13;1-5(7)6-3-2-4-8-6/h3,6-8H,1-2,4-5H2,(H,15,16)(H,17,18);2-4H,1H3