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

Systemtic Name: sodium (4-chlorophenyl) 4-(1-propanoyloxybutoxycarbonylamino)butanoate Openeye Name: sodium (4-chlorophenyl) 4-(1-propanoyloxybutoxycarbonylamino)butanoate CAS Name: sodium 4-[[oxo-[1-(1-oxopropoxy)butoxy]methyl]amino]butanoic acid (4-chlorophenyl) ester IUPAC Name: sodium (4-chlorophenyl) 4-(1-propanoyloxybutoxycarbonylamino)butanoate Traditional Name: sodium 4-(1-propionyloxybutoxycarbonylamino)butyric acid (4-chlorophenyl) ester Formula: C18H24ClNNaO6+ MolecularWeight: 408.82903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClNO6.Na/c1-3-6-17(25-15(21)4-2)26-18(23)20-12-5-7-16(22)24-14-10-8-13(19)9-11-14;/h8-11,17H,3-7,12H2,1-2H3,(H,20,23);/q;+1