sodium (4-chlorophenyl) 4-(2,2-diethoxypropanoyloxymethoxycarbonylamino)butanoate

Systemtic Name: sodium (4-chlorophenyl) 4-(2,2-diethoxypropanoyloxymethoxycarbonylamino)butanoate Openeye Name: sodium (4-chlorophenyl) 4-(2,2-diethoxypropanoyloxymethoxycarbonylamino)butanoate CAS Name: sodium 4-[[(2,2-diethoxy-1-oxopropoxy)methoxy-oxomethyl]amino]butanoic acid (4-chlorophenyl) ester IUPAC Name: sodium (4-chlorophenyl) 4-(2,2-diethoxypropanoyloxymethoxycarbonylamino)butanoate Traditional Name: sodium 4-(2,2-diethoxypropanoyloxymethoxycarbonylamino)butyric acid (4-chlorophenyl) ester Formula: C19H26ClNNaO8+ MolecularWeight: 454.85441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClNO8.Na/c1-4-27-19(3,28-5-2)17(23)25-13-26-18(24)21-12-6-7-16(22)29-15-10-8-14(20)9-11-15;/h8-11H,4-7,12-13H2,1-3H3,(H,21,24);/q;+1