sodium 3-methyl-2-(phenoxycarbonylamino)butanoic acid

Systemtic Name: sodium 3-methyl-2-(phenoxycarbonylamino)butanoic acid Openeye Name: sodium 3-methyl-2-(phenoxycarbonylamino)butanoic acid CAS Name: sodium 3-methyl-2-[[oxo(phenoxy)methyl]amino]butanoic acid IUPAC Name: sodium 3-methyl-2-(phenoxycarbonylamino)butanoic acid Traditional Name: sodium 2-(carbophenoxyamino)-3-methyl-butyric acid Formula: C12H15NNaO4+ MolecularWeight: 260.24157

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)OC1=CC=CC=C1.[Na+]

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)OC1=CC=CC=C1.[Na+]

InChI

InChI=1S/C12H15NO4.Na/c1-8(2)10(11(14)15)13-12(16)17-9-6-4-3-5-7-9;/h3-8,10H,1-2H3,(H,13,16)(H,14,15);/q;+1