2-(azepan-1-ylcarbonyloxy)-4-methyl-pentanoate

Systemtic Name: 2-(azepan-1-ylcarbonyloxy)-4-methyl-pentanoate Openeye Name: 2-(azepane-1-carbonyloxy)-4-methyl-pentanoate CAS Name: 2-[1-azepanyl(oxo)methoxy]-4-methylpentanoate IUPAC Name: 2-(azepane-1-carbonyloxy)-4-methylpentanoate Traditional Name: 2-(azepane-1-carbonyloxy)-4-methyl-valerate Formula: C13H22NO4- MolecularWeight: 256.31808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])OC(=O)N1CCCCCC1

Isomeric SMILES

CC(C)CC(C(=O)[O-])OC(=O)N1CCCCCC1

InChI

InChI=1S/C13H23NO4/c1-10(2)9-11(12(15)16)18-13(17)14-7-5-3-4-6-8-14/h10-11H,3-9H2,1-2H3,(H,15,16)/p-1