2-ethyl-2-(1-ethyl-7-methyl-4-oxidanylidene-cinnolin-3-yl)carbonyloxy-octanoic acid

Systemtic Name: 2-ethyl-2-(1-ethyl-7-methyl-4-oxidanylidene-cinnolin-3-yl)carbonyloxy-octanoic acid Openeye Name: 2-ethyl-2-(1-ethyl-7-methyl-4-oxo-cinnoline-3-carbonyl)oxy-octanoic acid CAS Name: 2-ethyl-2-[(1-ethyl-7-methyl-4-oxo-3-cinnolinyl)-oxomethoxy]octanoic acid IUPAC Name: 2-ethyl-2-(1-ethyl-7-methyl-4-oxocinnoline-3-carbonyl)oxyoctanoic acid Traditional Name: 2-ethyl-2-(1-ethyl-4-keto-7-methyl-cinnoline-3-carbonyl)oxy-caprylic acid Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)(C(=O)O)OC(=O)C1=NN(C2=C(C1=O)C=CC(=C2)C)CC

Isomeric SMILES

CCCCCCC(CC)(C(=O)O)OC(=O)C1=NN(C2=C(C1=O)C=CC(=C2)C)CC

InChI

InChI=1S/C22H30N2O5/c1-5-8-9-10-13-22(6-2,21(27)28)29-20(26)18-19(25)16-12-11-15(4)14-17(16)24(7-3)23-18/h11-12,14H,5-10,13H2,1-4H3,(H,27,28)