[4-[[2,3-bis(phenylmethoxy)phenyl]carbonylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[[2,3-bis(phenylmethoxy)phenyl]carbonylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[(2,3-dibenzyloxybenzoyl)amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[[2,3-bis(phenylmethoxy)phenyl]-oxomethyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[[2,3-bis(phenylmethoxy)benzoyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[(2,3-dibenzoxybenzoyl)amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C25H29NO10P2 MolecularWeight: 565.445982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2OCC3=CC=CC=C3)C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2OCC3=CC=CC=C3)C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C25H29NO10P2/c27-24(26-16-8-15-25(28,37(29,30)31)38(32,33)34)21-13-7-14-22(35-17-19-9-3-1-4-10-19)23(21)36-18-20-11-5-2-6-12-20/h1-7,9-14,28H,8,15-18H2,(H,26,27)(H2,29,30,31)(H2,32,33,34)