sodium (2S)-3-(4-chlorophenyl)-2-(2-methylpropoxycarbonylamino)propanoate

Systemtic Name: sodium (2S)-3-(4-chlorophenyl)-2-(2-methylpropoxycarbonylamino)propanoate Openeye Name: sodium (2S)-3-(4-chlorophenyl)-2-(isobutoxycarbonylamino)propanoate CAS Name: sodium (2S)-3-(4-chlorophenyl)-2-[[2-methylpropoxy(oxo)methyl]amino]propanoate IUPAC Name: sodium (2S)-3-(4-chlorophenyl)-2-(2-methylpropoxycarbonylamino)propanoate Traditional Name: sodium (2S)-3-(4-chlorophenyl)-2-(isobutoxycarbonylamino)propionate Formula: C14H17ClNNaO4 MolecularWeight: 321.73185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC(CC1=CC=C(C=C1)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)COC(=O)N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H18ClNO4.Na/c1-9(2)8-20-14(19)16-12(13(17)18)7-10-3-5-11(15)6-4-10;/h3-6,9,12H,7-8H2,1-2H3,(H,16,19)(H,17,18);/q;+1/p-1/t12-;/m0./s1