2-[2-(6-azanylhexanoyloxymethyl)-2-(hydroxymethyl)butoxy]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: 2-[2-(6-azanylhexanoyloxymethyl)-2-(hydroxymethyl)butoxy]carbonylcyclohexane-1-carboxylic acid Openeye Name: 2-[2-(6-aminohexanoyloxymethyl)-2-(hydroxymethyl)butoxy]carbonylcyclohexanecarboxylic acid CAS Name: 2-[[2-[(6-amino-1-oxohexoxy)methyl]-2-(hydroxymethyl)butoxy]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[2-(6-aminohexanoyloxymethyl)-2-(hydroxymethyl)butoxy]carbonylcyclohexane-1-carboxylic acid Traditional Name: 2-[2-(6-aminohexanoyloxymethyl)-2-methylol-butoxy]carbonylcyclohexanecarboxylic acid Formula: C20H35NO7 MolecularWeight: 401.4944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(COC(=O)CCCCCN)COC(=O)C1CCCCC1C(=O)O

Isomeric SMILES

CCC(CO)(COC(=O)CCCCCN)COC(=O)C1CCCCC1C(=O)O

InChI

InChI=1S/C20H35NO7/c1-2-20(12-22,13-27-17(23)10-4-3-7-11-21)14-28-19(26)16-9-6-5-8-15(16)18(24)25/h15-16,22H,2-14,21H2,1H3,(H,24,25)