2-[[3-[(2-phosphonopropan-2-ylamino)methyl]phenyl]methylamino]propan-2-ylphosphonic acid

Systemtic Name: 2-[[3-[(2-phosphonopropan-2-ylamino)methyl]phenyl]methylamino]propan-2-ylphosphonic acid Openeye Name: [1-methyl-1-[[3-[[(1-methyl-1-phosphono-ethyl)amino]methyl]phenyl]methylamino]ethyl]phosphonic acid CAS Name: 2-[[3-[(2-phosphonopropan-2-ylamino)methyl]phenyl]methylamino]propan-2-ylphosphonic acid IUPAC Name: 2-[[3-[(2-phosphonopropan-2-ylamino)methyl]phenyl]methylamino]propan-2-ylphosphonic acid Traditional Name: [1-methyl-1-[[3-[[(1-methyl-1-phosphono-ethyl)amino]methyl]benzyl]amino]ethyl]phosphonic acid Formula: C14H26N2O6P2 MolecularWeight: 380.313562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(NCC1=CC(=CC=C1)CNC(C)(C)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)(NCC1=CC(=CC=C1)CNC(C)(C)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H26N2O6P2/c1-13(2,23(17,18)19)15-9-11-6-5-7-12(8-11)10-16-14(3,4)24(20,21)22/h5-8,15-16H,9-10H2,1-4H3,(H2,17,18,19)(H2,20,21,22)