sodium (4-chlorophenyl) 4-(1-butanoyloxyethoxycarbonylamino)butanoate

Systemtic Name: sodium (4-chlorophenyl) 4-(1-butanoyloxyethoxycarbonylamino)butanoate Openeye Name: sodium (4-chlorophenyl) 4-(1-butanoyloxyethoxycarbonylamino)butanoate CAS Name: sodium 4-[[oxo-[1-(1-oxobutoxy)ethoxy]methyl]amino]butanoic acid (4-chlorophenyl) ester IUPAC Name: sodium (4-chlorophenyl) 4-(1-butanoyloxyethoxycarbonylamino)butanoate Traditional Name: sodium 4-(1-butyryloxyethoxycarbonylamino)butyric acid (4-chlorophenyl) ester Formula: C17H22ClNNaO6+ MolecularWeight: 394.80245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNO6.Na/c1-3-5-15(20)23-12(2)24-17(22)19-11-4-6-16(21)25-14-9-7-13(18)8-10-14;/h7-10,12H,3-6,11H2,1-2H3,(H,19,22);/q;+1