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

Systemtic Name: sodium (4-chlorophenyl) 4-[[butanoyloxy(cyclohexyl)methoxy]carbonylamino]butanoate Openeye Name: sodium (4-chlorophenyl) 4-[[butanoyloxy(cyclohexyl)methoxy]carbonylamino]butanoate CAS Name: sodium 4-[[[cyclohexyl(1-oxobutoxy)methoxy]-oxomethyl]amino]butanoic acid (4-chlorophenyl) ester IUPAC Name: sodium (4-chlorophenyl) 4-[[butanoyloxy(cyclohexyl)methoxy]carbonylamino]butanoate Traditional Name: sodium 4-[[butyryloxy(cyclohexyl)methoxy]carbonylamino]butyric acid (4-chlorophenyl) ester Formula: C22H30ClNNaO6+ MolecularWeight: 462.91947

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C1CCCCC1)OC(=O)NCCCC(=O)OC2=CC=C(C=C2)Cl.[Na+]

Isomeric SMILES

CCCC(=O)OC(C1CCCCC1)OC(=O)NCCCC(=O)OC2=CC=C(C=C2)Cl.[Na+]

InChI

InChI=1S/C22H30ClNO6.Na/c1-2-7-19(25)29-21(16-8-4-3-5-9-16)30-22(27)24-15-6-10-20(26)28-18-13-11-17(23)12-14-18;/h11-14,16,21H,2-10,15H2,1H3,(H,24,27);/q;+1