sodium [4-(4-chloranylphenoxy)-4-oxidanylidene-butyl]carbamoyloxymethyl 3-methylbutanoate

Systemtic Name: sodium [4-(4-chloranylphenoxy)-4-oxidanylidene-butyl]carbamoyloxymethyl 3-methylbutanoate Openeye Name: sodium [4-(4-chlorophenoxy)-4-oxo-butyl]carbamoyloxymethyl 3-methylbutanoate CAS Name: sodium 3-methylbutanoic acid [[[4-(4-chlorophenoxy)-4-oxobutyl]amino]-oxomethoxy]methyl ester IUPAC Name: sodium [4-(4-chlorophenoxy)-4-oxobutyl]carbamoyloxymethyl 3-methylbutanoate Traditional Name: sodium 3-methylbutyric acid [4-(4-chlorophenoxy)-4-keto-butyl]carbamoyloxymethyl ester Formula: C17H22ClNNaO6+ MolecularWeight: 394.80245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNO6.Na/c1-12(2)10-16(21)23-11-24-17(22)19-9-3-4-15(20)25-14-7-5-13(18)6-8-14;/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,22);/q;+1