2-[4-(hexanoylamino)phenyl]propan-2-ylphosphonic acid

Systemtic Name: 2-[4-(hexanoylamino)phenyl]propan-2-ylphosphonic acid Openeye Name: [1-[4-(hexanoylamino)phenyl]-1-methyl-ethyl]phosphonic acid CAS Name: 2-[4-(1-oxohexylamino)phenyl]propan-2-ylphosphonic acid IUPAC Name: 2-[4-(hexanoylamino)phenyl]propan-2-ylphosphonic acid Traditional Name: [1-[4-(caproylamino)phenyl]-1-methyl-ethyl]phosphonic acid Formula: C15H24NO4P MolecularWeight: 313.329121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(C)(C)P(=O)(O)O

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(C)(C)P(=O)(O)O

InChI

InChI=1S/C15H24NO4P/c1-4-5-6-7-14(17)16-13-10-8-12(9-11-13)15(2,3)21(18,19)20/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,18,19,20)