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

Systemtic Name: sodium 2-(4-chlorophenyl)-4-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]butanoate Openeye Name: sodium 2-(4-chlorophenyl)-4-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]butanoate CAS Name: sodium 2-(4-chlorophenyl)-4-[[2-(2-methyl-1-oxopropoxy)ethoxy-oxomethyl]amino]butanoate IUPAC Name: sodium 2-(4-chlorophenyl)-4-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]butanoate Traditional Name: sodium 2-(4-chlorophenyl)-4-(2-isobutyryloxyethoxycarbonylamino)butyrate Formula: C17H21ClNNaO6 MolecularWeight: 393.79451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNO6.Na/c1-11(2)16(22)24-9-10-25-17(23)19-8-7-14(15(20)21)12-3-5-13(18)6-4-12;/h3-6,11,14H,7-10H2,1-2H3,(H,19,23)(H,20,21);/q;+1/p-1