(E)-3-ethyl-8-methyl-4-methylidene-2-[2-oxidanylidene-2-(1,2,4-triazol-4-ylamino)ethyl]dec-7-enoic acid

Systemtic Name: (E)-3-ethyl-8-methyl-4-methylidene-2-[2-oxidanylidene-2-(1,2,4-triazol-4-ylamino)ethyl]dec-7-enoic acid Openeye Name: (E)-3-ethyl-8-methyl-4-methylene-2-[2-oxo-2-(1,2,4-triazol-4-ylamino)ethyl]dec-7-enoic acid CAS Name: (E)-3-ethyl-8-methyl-4-methylene-2-[2-oxo-2-(1,2,4-triazol-4-ylamino)ethyl]-7-decenoic acid IUPAC Name: (E)-3-ethyl-8-methyl-4-methylidene-2-[2-oxo-2-(1,2,4-triazol-4-ylamino)ethyl]dec-7-enoic acid Traditional Name: (E)-3-ethyl-2-[2-keto-2-(1,2,4-triazol-4-ylamino)ethyl]-8-methyl-4-methylene-dec-7-enoic acid Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)NN1C=NN=C1)C(=O)O)C(=C)CCC=C(C)CC

Isomeric SMILES

CCC(C(CC(=O)NN1C=NN=C1)C(=O)O)C(=C)CC/C=C(\C)/CC

InChI

InChI=1S/C18H28N4O3/c1-5-13(3)8-7-9-14(4)15(6-2)16(18(24)25)10-17(23)21-22-11-19-20-12-22/h8,11-12,15-16H,4-7,9-10H2,1-3H3,(H,21,23)(H,24,25)/b13-8+