sodium (4-chlorophenyl) 4-[(1-butanoyloxy-2-methyl-propoxy)carbonylamino]butanoate

Systemtic Name: sodium (4-chlorophenyl) 4-[(1-butanoyloxy-2-methyl-propoxy)carbonylamino]butanoate Openeye Name: sodium (4-chlorophenyl) 4-[(1-butanoyloxy-2-methyl-propoxy)carbonylamino]butanoate CAS Name: sodium 4-[[[2-methyl-1-(1-oxobutoxy)propoxy]-oxomethyl]amino]butanoic acid (4-chlorophenyl) ester IUPAC Name: sodium (4-chlorophenyl) 4-[(1-butanoyloxy-2-methylpropoxy)carbonylamino]butanoate Traditional Name: sodium 4-[(1-butyryloxy-2-methyl-propoxy)carbonylamino]butyric acid (4-chlorophenyl) ester Formula: C19H26ClNNaO6+ MolecularWeight: 422.85561

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C(C)C)OC(=O)NCCCC(=O)OC1=CC=C(C=C1)Cl.[Na+]

Isomeric SMILES

CCCC(=O)OC(C(C)C)OC(=O)NCCCC(=O)OC1=CC=C(C=C1)Cl.[Na+]

InChI

InChI=1S/C19H26ClNO6.Na/c1-4-6-16(22)26-18(13(2)3)27-19(24)21-12-5-7-17(23)25-15-10-8-14(20)9-11-15;/h8-11,13,18H,4-7,12H2,1-3H3,(H,21,24);/q;+1