[3,5-dimethyl-4-[[4-oxidanyl-3-(phenethylcarbamoyl)phenyl]methyl]phenyl]methyl-methyl-phosphinic acid

Systemtic Name: [3,5-dimethyl-4-[[4-oxidanyl-3-(phenethylcarbamoyl)phenyl]methyl]phenyl]methyl-methyl-phosphinic acid Openeye Name: [4-[[4-hydroxy-3-(phenethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-phenyl]methyl-methyl-phosphinic acid CAS Name: [4-[[4-hydroxy-3-[oxo-(phenethylamino)methyl]phenyl]methyl]-3,5-dimethylphenyl]methyl-methylphosphinic acid IUPAC Name: [4-[[4-hydroxy-3-(phenethylcarbamoyl)phenyl]methyl]-3,5-dimethylphenyl]methyl-methylphosphinic acid Traditional Name: [4-[4-hydroxy-3-(phenethylcarbamoyl)benzyl]-3,5-dimethyl-benzyl]-methyl-phosphinic acid Formula: C26H30NO4P MolecularWeight: 451.494461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(=O)NCCC3=CC=CC=C3)C)CP(=O)(C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(=O)NCCC3=CC=CC=C3)C)CP(=O)(C)O

InChI

InChI=1S/C26H30NO4P/c1-18-13-22(17-32(3,30)31)14-19(2)23(18)15-21-9-10-25(28)24(16-21)26(29)27-12-11-20-7-5-4-6-8-20/h4-10,13-14,16,28H,11-12,15,17H2,1-3H3,(H,27,29)(H,30,31)