sodium 2-(4-chlorophenyl)-4-[3-(2-methylpropanoyloxy)propoxycarbonylamino]butanoate

Systemtic Name: sodium 2-(4-chlorophenyl)-4-[3-(2-methylpropanoyloxy)propoxycarbonylamino]butanoate Openeye Name: sodium 2-(4-chlorophenyl)-4-[3-(2-methylpropanoyloxy)propoxycarbonylamino]butanoate CAS Name: sodium 2-(4-chlorophenyl)-4-[[3-(2-methyl-1-oxopropoxy)propoxy-oxomethyl]amino]butanoate IUPAC Name: sodium 2-(4-chlorophenyl)-4-[3-(2-methylpropanoyloxy)propoxycarbonylamino]butanoate Traditional Name: sodium 2-(4-chlorophenyl)-4-(3-isobutyryloxypropoxycarbonylamino)butyrate Formula: C18H23ClNNaO6 MolecularWeight: 407.82109

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCCCOC(=O)NCCC(C1=CC=C(C=C1)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C(=O)OCCCOC(=O)NCCC(C1=CC=C(C=C1)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H24ClNO6.Na/c1-12(2)17(23)25-10-3-11-26-18(24)20-9-8-15(16(21)22)13-4-6-14(19)7-5-13;/h4-7,12,15H,3,8-11H2,1-2H3,(H,20,24)(H,21,22);/q;+1/p-1