sodium 2-(4-chlorophenyl)-4-[4-(2-methylpropanoyloxy)butoxycarbonylamino]butanoate

Systemtic Name: sodium 2-(4-chlorophenyl)-4-[4-(2-methylpropanoyloxy)butoxycarbonylamino]butanoate Openeye Name: sodium 2-(4-chlorophenyl)-4-[4-(2-methylpropanoyloxy)butoxycarbonylamino]butanoate CAS Name: sodium 2-(4-chlorophenyl)-4-[[4-(2-methyl-1-oxopropoxy)butoxy-oxomethyl]amino]butanoate IUPAC Name: sodium 2-(4-chlorophenyl)-4-[4-(2-methylpropanoyloxy)butoxycarbonylamino]butanoate Traditional Name: sodium 2-(4-chlorophenyl)-4-(4-isobutyryloxybutoxycarbonylamino)butyrate Formula: C19H25ClNNaO6 MolecularWeight: 421.84767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClNO6.Na/c1-13(2)18(24)26-11-3-4-12-27-19(25)21-10-9-16(17(22)23)14-5-7-15(20)8-6-14;/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,21,25)(H,22,23);/q;+1/p-1