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

Systemtic Name: [3,5-dimethyl-4-[[4-oxidanyl-3-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]methylphosphonic acid Openeye Name: [4-[[4-hydroxy-3-(isopropylcarbamoyl)phenyl]methyl]-3,5-dimethyl-phenoxy]methylphosphonic acid CAS Name: [4-[[4-hydroxy-3-[oxo-(propan-2-ylamino)methyl]phenyl]methyl]-3,5-dimethylphenoxy]methylphosphonic acid IUPAC Name: [4-[[4-hydroxy-3-(propan-2-ylcarbamoyl)phenyl]methyl]-3,5-dimethylphenoxy]methylphosphonic acid Traditional Name: [4-[4-hydroxy-3-(isopropylcarbamoyl)benzyl]-3,5-dimethyl-phenoxy]methylphosphonic acid Formula: C20H26NO6P MolecularWeight: 407.397301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26NO6P/c1-12(2)21-20(23)18-10-15(5-6-19(18)22)9-17-13(3)7-16(8-14(17)4)27-11-28(24,25)26/h5-8,10,12,22H,9,11H2,1-4H3,(H,21,23)(H2,24,25,26)