3,3-dimethyl-2-(phenoxycarbonylamino)butanoic acid

Systemtic Name: 3,3-dimethyl-2-(phenoxycarbonylamino)butanoic acid Openeye Name: 3,3-dimethyl-2-(phenoxycarbonylamino)butanoic acid CAS Name: 3,3-dimethyl-2-[[oxo(phenoxy)methyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-(phenoxycarbonylamino)butanoic acid Traditional Name: 2-(carbophenoxyamino)-3,3-dimethyl-butyric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)OC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C13H17NO4/c1-13(2,3)10(11(15)16)14-12(17)18-9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,17)(H,15,16)