methyl 6,6-dimethyl-4-oxidanylidene-3-undecyl-5,7-dihydro-1H-indazole-5-carboxylate

Systemtic Name: methyl 6,6-dimethyl-4-oxidanylidene-3-undecyl-5,7-dihydro-1H-indazole-5-carboxylate Openeye Name: methyl 6,6-dimethyl-4-oxo-3-undecyl-5,7-dihydro-1H-indazole-5-carboxylate CAS Name: 6,6-dimethyl-4-oxo-3-undecyl-5,7-dihydro-1H-indazole-5-carboxylic acid methyl ester IUPAC Name: methyl 6,6-dimethyl-4-oxo-3-undecyl-5,7-dihydro-1H-indazole-5-carboxylate Traditional Name: 4-keto-6,6-dimethyl-3-undecyl-5,7-dihydro-1H-indazole-5-carboxylic acid methyl ester Formula: C22H36N2O3 MolecularWeight: 376.53284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NNC2=C1C(=O)C(C(C2)(C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCC1=NNC2=C1C(=O)C(C(C2)(C)C)C(=O)OC

InChI

InChI=1S/C22H36N2O3/c1-5-6-7-8-9-10-11-12-13-14-16-18-17(24-23-16)15-22(2,3)19(20(18)25)21(26)27-4/h19H,5-15H2,1-4H3,(H,23,24)