[[[3-[(2,5-dimethylphenyl)methoxy]-6-methyl-pyridin-2-yl]amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[[3-[(2,5-dimethylphenyl)methoxy]-6-methyl-pyridin-2-yl]amino]-phosphono-methyl]phosphonic acid Openeye Name: [[[3-[(2,5-dimethylphenyl)methoxy]-6-methyl-2-pyridyl]amino]-phosphono-methyl]phosphonic acid CAS Name: [[[3-[(2,5-dimethylphenyl)methoxy]-6-methyl-2-pyridinyl]amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[[3-[(2,5-dimethylphenyl)methoxy]-6-methylpyridin-2-yl]amino]-phosphonomethyl]phosphonic acid Traditional Name: [[[3-(2,5-dimethylbenzyl)oxy-6-methyl-2-pyridyl]amino]-phosphono-methyl]phosphonic acid Formula: C16H22N2O7P2 MolecularWeight: 416.302602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC2=C(N=C(C=C2)C)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC2=C(N=C(C=C2)C)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C16H22N2O7P2/c1-10-4-5-11(2)13(8-10)9-25-14-7-6-12(3)17-15(14)18-16(26(19,20)21)27(22,23)24/h4-8,16H,9H2,1-3H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)