3-[4-(hexanoylamino)phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-(hexanoylamino)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[4-(hexanoylamino)phenyl]propyl]phosphonic acid CAS Name: 3-[4-(1-oxohexylamino)phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-(hexanoylamino)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-(caproylamino)phenyl]-1-ethyl-propyl]phosphonic acid Formula: C17H28NO4P MolecularWeight: 341.382281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28NO4P/c1-4-7-8-9-16(19)18-15-12-10-14(11-13-15)17(5-2,6-3)23(20,21)22/h10-13H,4-9H2,1-3H3,(H,18,19)(H2,20,21,22)