sodium 2-(4-chlorophenyl)-4-[[cyclohexyl(2-methylpropanoyloxy)methoxy]carbonylamino]butanoate

Systemtic Name: sodium 2-(4-chlorophenyl)-4-[[cyclohexyl(2-methylpropanoyloxy)methoxy]carbonylamino]butanoate Openeye Name: sodium 2-(4-chlorophenyl)-4-[[cyclohexyl(2-methylpropanoyloxy)methoxy]carbonylamino]butanoate CAS Name: sodium 2-(4-chlorophenyl)-4-[[[cyclohexyl-(2-methyl-1-oxopropoxy)methoxy]-oxomethyl]amino]butanoate IUPAC Name: sodium 2-(4-chlorophenyl)-4-[[cyclohexyl(2-methylpropanoyloxy)methoxy]carbonylamino]butanoate Traditional Name: sodium 2-(4-chlorophenyl)-4-[[cyclohexyl(isobutyryloxy)methoxy]carbonylamino]butyrate Formula: C22H29ClNNaO6 MolecularWeight: 461.91153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC(C1CCCCC1)OC(=O)NCCC(C2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C(=O)OC(C1CCCCC1)OC(=O)NCCC(C2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H30ClNO6.Na/c1-14(2)20(27)29-21(16-6-4-3-5-7-16)30-22(28)24-13-12-18(19(25)26)15-8-10-17(23)11-9-15;/h8-11,14,16,18,21H,3-7,12-13H2,1-2H3,(H,24,28)(H,25,26);/q;+1/p-1