6-fluoranyl-8-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 6-fluoranyl-8-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 6-fluoro-8-(1,3,5-trimethylpyrazol-4-yl)chromane-2-carboxylic acid CAS Name: 6-fluoro-8-(1,3,5-trimethyl-4-pyrazolyl)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 6-fluoro-8-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 6-fluoro-8-(1,3,5-trimethylpyrazol-4-yl)chroman-2-carboxylic acid Formula: C16H17FN2O3 MolecularWeight: 304.316183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=CC(=CC3=C2OC(CC3)C(=O)O)F

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=CC(=CC3=C2OC(CC3)C(=O)O)F

InChI

InChI=1S/C16H17FN2O3/c1-8-14(9(2)19(3)18-8)12-7-11(17)6-10-4-5-13(16(20)21)22-15(10)12/h6-7,13H,4-5H2,1-3H3,(H,20,21)