sodium (4-chlorophenyl) 4-(3-phenylpropanoyloxymethoxycarbonylamino)butanoate

Systemtic Name: sodium (4-chlorophenyl) 4-(3-phenylpropanoyloxymethoxycarbonylamino)butanoate Openeye Name: sodium (4-chlorophenyl) 4-(3-phenylpropanoyloxymethoxycarbonylamino)butanoate CAS Name: sodium 4-[[oxo-[(1-oxo-3-phenylpropoxy)methoxy]methyl]amino]butanoic acid (4-chlorophenyl) ester IUPAC Name: sodium (4-chlorophenyl) 4-(3-phenylpropanoyloxymethoxycarbonylamino)butanoate Traditional Name: sodium 4-(hydrocinnamoyloxymethoxycarbonylamino)butyric acid (4-chlorophenyl) ester Formula: C21H22ClNNaO6+ MolecularWeight: 442.84525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OCOC(=O)NCCCC(=O)OC2=CC=C(C=C2)Cl.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OCOC(=O)NCCCC(=O)OC2=CC=C(C=C2)Cl.[Na+]

InChI

InChI=1S/C21H22ClNO6.Na/c22-17-9-11-18(12-10-17)29-20(25)7-4-14-23-21(26)28-15-27-19(24)13-8-16-5-2-1-3-6-16;/h1-3,5-6,9-12H,4,7-8,13-15H2,(H,23,26);/q;+1