[2-[4-(4-methoxyphenyl)butylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [2-[4-(4-methoxyphenyl)butylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-2-[4-(4-methoxyphenyl)butylamino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-2-[4-(4-methoxyphenyl)butylamino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[4-(4-methoxyphenyl)butylamino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-2-[4-(4-methoxyphenyl)butylamino]-1-phosphono-propyl]phosphonic acid Formula: C14H25NO8P2 MolecularWeight: 397.297722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(O)(P(=O)(O)O)P(=O)(O)O)NCCCCC1=CC=C(C=C1)OC

Isomeric SMILES

CC(C(O)(P(=O)(O)O)P(=O)(O)O)NCCCCC1=CC=C(C=C1)OC

InChI

InChI=1S/C14H25NO8P2/c1-11(14(16,24(17,18)19)25(20,21)22)15-10-4-3-5-12-6-8-13(23-2)9-7-12/h6-9,11,15-16H,3-5,10H2,1-2H3,(H2,17,18,19)(H2,20,21,22)