2-[2-(butanoylamino)phenyl]propan-2-ylphosphonic acid

Systemtic Name: 2-[2-(butanoylamino)phenyl]propan-2-ylphosphonic acid Openeye Name: [1-[2-(butanoylamino)phenyl]-1-methyl-ethyl]phosphonic acid CAS Name: 2-[2-(1-oxobutylamino)phenyl]propan-2-ylphosphonic acid IUPAC Name: 2-[2-(butanoylamino)phenyl]propan-2-ylphosphonic acid Traditional Name: [1-(2-butyramidophenyl)-1-methyl-ethyl]phosphonic acid Formula: C13H20NO4P MolecularWeight: 285.275961

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=CC=C1C(C)(C)P(=O)(O)O

Isomeric SMILES

CCCC(=O)NC1=CC=CC=C1C(C)(C)P(=O)(O)O

InChI

InChI=1S/C13H20NO4P/c1-4-7-12(15)14-11-9-6-5-8-10(11)13(2,3)19(16,17)18/h5-6,8-9H,4,7H2,1-3H3,(H,14,15)(H2,16,17,18)