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

Systemtic Name: sodium (4-chlorophenyl) 4-[[cyclohexyl(propanoyloxy)methoxy]carbonylamino]butanoate Openeye Name: sodium (4-chlorophenyl) 4-[[cyclohexyl(propanoyloxy)methoxy]carbonylamino]butanoate CAS Name: sodium 4-[[[cyclohexyl(1-oxopropoxy)methoxy]-oxomethyl]amino]butanoic acid (4-chlorophenyl) ester IUPAC Name: sodium (4-chlorophenyl) 4-[[cyclohexyl(propanoyloxy)methoxy]carbonylamino]butanoate Traditional Name: sodium 4-[[cyclohexyl(propionyloxy)methoxy]carbonylamino]butyric acid (4-chlorophenyl) ester Formula: C21H28ClNNaO6+ MolecularWeight: 448.89289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO6.Na/c1-2-18(24)28-20(15-7-4-3-5-8-15)29-21(26)23-14-6-9-19(25)27-17-12-10-16(22)11-13-17;/h10-13,15,20H,2-9,14H2,1H3,(H,23,26);/q;+1