4-[2-[4-(3,5-dimethylphenyl)-6-phenyl-2-propan-2-yl-pyridin-3-yl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[2-[4-(3,5-dimethylphenyl)-6-phenyl-2-propan-2-yl-pyridin-3-yl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid Openeye Name: 4-[2-[4-(3,5-dimethylphenyl)-2-isopropyl-6-phenyl-3-pyridyl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butanoic acid CAS Name: 4-[2-[4-(3,5-dimethylphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoic acid IUPAC Name: 4-[2-[4-(3,5-dimethylphenyl)-6-phenyl-2-propan-2-ylpyridin-3-yl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoic acid Traditional Name: 4-[2-[4-(3,5-dimethylphenyl)-2-isopropyl-6-phenyl-3-pyridyl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butyric acid Formula: C28H30NO5P MolecularWeight: 491.515261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=NC(=C2C#CP(=O)(CC(CC(=O)O)O)O)C(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=NC(=C2C#CP(=O)(CC(CC(=O)O)O)O)C(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C28H30NO5P/c1-18(2)28-24(10-11-35(33,34)17-23(30)15-27(31)32)25(22-13-19(3)12-20(4)14-22)16-26(29-28)21-8-6-5-7-9-21/h5-9,12-14,16,18,23,30H,15,17H2,1-4H3,(H,31,32)(H,33,34)