2-[bis(fluoranyl)methylamino]-3-(4-phosphonophenyl)propanoic acid; butane

Systemtic Name: 2-[bis(fluoranyl)methylamino]-3-(4-phosphonophenyl)propanoic acid; butane Openeye Name: butane; 2-(difluoromethylamino)-3-(4-phosphonophenyl)propanoic acid CAS Name: butane; 2-(difluoromethylamino)-3-(4-phosphonophenyl)propanoic acid IUPAC Name: butane; 2-(difluoromethylamino)-3-(4-phosphonophenyl)propanoic acid Traditional Name: 2-(difluoromethylamino)-3-(4-phosphonophenyl)propionic acid; n-butane Formula: C14H22F2NO5P MolecularWeight: 353.298747

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC(=CC=C1CC(C(=O)O)NC(F)F)P(=O)(O)O

Isomeric SMILES

CCCC.C1=CC(=CC=C1CC(C(=O)O)NC(F)F)P(=O)(O)O

InChI

InChI=1S/C10H12F2NO5P.C4H10/c11-10(12)13-8(9(14)15)5-6-1-3-7(4-2-6)19(16,17)18;1-3-4-2/h1-4,8,10,13H,5H2,(H,14,15)(H2,16,17,18);3-4H2,1-2H3