5-[4-methyl-3-(methylcarbamoyl)-2-octyl-1,2-diazinan-3-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-methyl-3-(methylcarbamoyl)-2-octyl-1,2-diazinan-3-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-methyl-3-(methylcarbamoyl)-2-octyl-hexahydropyridazin-3-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-methyl-3-(methylcarbamoyl)-2-octyl-3-diazinanyl]-5-oxopentanoic acid IUPAC Name: 5-[4-methyl-3-(methylcarbamoyl)-2-octyldiazinan-3-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-methyl-3-(methylcarbamoyl)-2-octyl-hexahydropyridazin-3-yl]valeric acid Formula: C20H37N3O4 MolecularWeight: 383.52548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(C(CCN1)C)(C(=O)CCCC(=O)O)C(=O)NC

Isomeric SMILES

CCCCCCCCN1C(C(CCN1)C)(C(=O)CCCC(=O)O)C(=O)NC

InChI

InChI=1S/C20H37N3O4/c1-4-5-6-7-8-9-15-23-20(19(27)21-3,16(2)13-14-22-23)17(24)11-10-12-18(25)26/h16,22H,4-15H2,1-3H3,(H,21,27)(H,25,26)