(3-methoxycarbonylfuran-2-yl)methyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (3-methoxycarbonylfuran-2-yl)methyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: (3-methoxycarbonyl-2-furyl)methyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (3-methoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (3-methoxycarbonylfuran-2-yl)methyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (3-carbomethoxy-2-furyl)methyl ester Formula: C21H19FN2O5 MolecularWeight: 398.384363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)COC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(OC=C1)COC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN2O5/c1-27-20(25)16-10-11-28-18(16)12-29-21(26)19-15-4-2-3-5-17(15)24(23-19)14-8-6-13(22)7-9-14/h6-11H,2-5,12H2,1H3