sodium 2-[1-[[2-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]ethanoate

Systemtic Name: sodium 2-[1-[[2-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]ethanoate Openeye Name: sodium 2-[1-[[2-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetate CAS Name: sodium 2-[1-[[[2-(2-methyl-1-oxopropoxy)ethoxy-oxomethyl]amino]methyl]cyclohexyl]acetate IUPAC Name: sodium 2-[1-[[2-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetate Traditional Name: sodium 2-[1-[(2-isobutyryloxyethoxycarbonylamino)methyl]cyclohexyl]acetate Formula: C16H26NNaO6 MolecularWeight: 351.37051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCCOC(=O)NCC1(CCCCC1)CC(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C(=O)OCCOC(=O)NCC1(CCCCC1)CC(=O)[O-].[Na+]

InChI

InChI=1S/C16H27NO6.Na/c1-12(2)14(20)22-8-9-23-15(21)17-11-16(10-13(18)19)6-4-3-5-7-16;/h12H,3-11H2,1-2H3,(H,17,21)(H,18,19);/q;+1/p-1