[4-[(4-acetamido-3-propan-2-yl-phenyl)methyl]-3,5-dimethyl-phenoxy]methylphosphonic acid

Systemtic Name: [4-[(4-acetamido-3-propan-2-yl-phenyl)methyl]-3,5-dimethyl-phenoxy]methylphosphonic acid Openeye Name: [4-[(4-acetamido-3-isopropyl-phenyl)methyl]-3,5-dimethyl-phenoxy]methylphosphonic acid CAS Name: [4-[(4-acetamido-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid IUPAC Name: [4-[(4-acetamido-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid Traditional Name: [4-(4-acetamido-3-isopropyl-benzyl)-3,5-dimethyl-phenoxy]methylphosphonic acid Formula: C21H28NO5P MolecularWeight: 405.424481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)NC(=O)C)C(C)C)C)OCP(=O)(O)O

Isomeric SMILES

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)NC(=O)C)C(C)C)C)OCP(=O)(O)O

InChI

InChI=1S/C21H28NO5P/c1-13(2)19-10-17(6-7-21(19)22-16(5)23)11-20-14(3)8-18(9-15(20)4)27-12-28(24,25)26/h6-10,13H,11-12H2,1-5H3,(H,22,23)(H2,24,25,26)