[4-[[4-[(4-ethanoylphenyl)methyl]phenyl]methyl-methyl-amino]-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[[4-[(4-ethanoylphenyl)methyl]phenyl]methyl-methyl-amino]-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[[4-[(4-acetylphenyl)methyl]phenyl]methyl-methyl-amino]-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[4-[(4-acetylphenyl)methyl]phenyl]methyl-methylamino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[[4-[(4-acetylphenyl)methyl]phenyl]methyl-methylamino]-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[[4-(4-acetylbenzyl)benzyl]-methyl-amino]-1-phosphono-butyl]phosphonic acid Formula: C21H29NO7P2 MolecularWeight: 469.404982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CC2=CC=C(C=C2)CN(C)CCCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CC2=CC=C(C=C2)CN(C)CCCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C21H29NO7P2/c1-16(23)20-11-9-18(10-12-20)14-17-5-7-19(8-6-17)15-22(2)13-3-4-21(30(24,25)26)31(27,28)29/h5-12,21H,3-4,13-15H2,1-2H3,(H2,24,25,26)(H2,27,28,29)