[3-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[(5-methoxy-2,3-dihydrobenzofuran-2-yl)methylamino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[(5-methoxy-2,3-dihydrobenzofuran-2-yl)methylamino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[(5-methoxycoumaran-2-yl)methylamino]-1-phosphono-propyl]phosphonic acid Formula: C13H21NO9P2 MolecularWeight: 397.254662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(C2)CNCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

COC1=CC2=C(C=C1)OC(C2)CNCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H21NO9P2/c1-22-10-2-3-12-9(6-10)7-11(23-12)8-14-5-4-13(15,24(16,17)18)25(19,20)21/h2-3,6,11,14-15H,4-5,7-8H2,1H3,(H2,16,17,18)(H2,19,20,21)