ethyl 7-[4-methyl-2-(3-methyl-3-oxidanyl-nonyl)-3,5-bis(oxidanylidene)-1,2,4-triazolidin-1-yl]heptanoate

Systemtic Name: ethyl 7-[4-methyl-2-(3-methyl-3-oxidanyl-nonyl)-3,5-bis(oxidanylidene)-1,2,4-triazolidin-1-yl]heptanoate Openeye Name: ethyl 7-[2-(3-hydroxy-3-methyl-nonyl)-4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl]heptanoate CAS Name: 7-[2-(3-hydroxy-3-methylnonyl)-4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-(3-hydroxy-3-methylnonyl)-4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl]heptanoate Traditional Name: 7-[2-(3-hydroxy-3-methyl-nonyl)-3,5-diketo-4-methyl-1,2,4-triazolidin-1-yl]enanthic acid ethyl ester Formula: C22H41N3O5 MolecularWeight: 427.57804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(CCN1C(=O)N(C(=O)N1CCCCCCC(=O)OCC)C)O

Isomeric SMILES

CCCCCCC(C)(CCN1C(=O)N(C(=O)N1CCCCCCC(=O)OCC)C)O

InChI

InChI=1S/C22H41N3O5/c1-5-7-8-12-15-22(3,29)16-18-25-21(28)23(4)20(27)24(25)17-13-10-9-11-14-19(26)30-6-2/h29H,5-18H2,1-4H3