2-[2,7-bis(oxidanylidene)azepan-1-yl]-2-methyl-pentanoic acid

Systemtic Name: 2-[2,7-bis(oxidanylidene)azepan-1-yl]-2-methyl-pentanoic acid Openeye Name: 2-(2,7-dioxoazepan-1-yl)-2-methyl-pentanoic acid CAS Name: 2-(2,7-dioxo-1-azepanyl)-2-methylpentanoic acid IUPAC Name: 2-(2,7-dioxoazepan-1-yl)-2-methylpentanoic acid Traditional Name: 2-(2,7-diketoazepan-1-yl)-2-methyl-valeric acid Formula: C12H19NO4 MolecularWeight: 241.28356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)N1C(=O)CCCCC1=O

Isomeric SMILES

CCCC(C)(C(=O)O)N1C(=O)CCCCC1=O

InChI

InChI=1S/C12H19NO4/c1-3-8-12(2,11(16)17)13-9(14)6-4-5-7-10(13)15/h3-8H2,1-2H3,(H,16,17)