4-[[6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-yl-pyridin-3-yl]-prop-2-ynoxy-phosphoryl]oxybutanoic acid

Systemtic Name: 4-[[6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-yl-pyridin-3-yl]-prop-2-ynoxy-phosphoryl]oxybutanoic acid Openeye Name: 4-[[6-cyclohexyl-4-(4-fluorophenyl)-2-isopropyl-3-pyridyl]-prop-2-ynoxy-phosphoryl]oxybutanoic acid CAS Name: 4-[[6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]-prop-2-ynoxyphosphoryl]oxybutanoic acid IUPAC Name: 4-[[6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridin-3-yl]-prop-2-ynoxyphosphoryl]oxybutanoic acid Traditional Name: 4-[[6-cyclohexyl-4-(4-fluorophenyl)-2-isopropyl-3-pyridyl]-propargyloxy-phosphoryl]oxybutyric acid Formula: C27H33FNO5P MolecularWeight: 501.526784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=N1)C2CCCCC2)C3=CC=C(C=C3)F)P(=O)(OCCCC(=O)O)OCC#C

Isomeric SMILES

CC(C)C1=C(C(=CC(=N1)C2CCCCC2)C3=CC=C(C=C3)F)P(=O)(OCCCC(=O)O)OCC#C

InChI

InChI=1S/C27H33FNO5P/c1-4-16-33-35(32,34-17-8-11-25(30)31)27-23(20-12-14-22(28)15-13-20)18-24(29-26(27)19(2)3)21-9-6-5-7-10-21/h1,12-15,18-19,21H,5-11,16-17H2,2-3H3,(H,30,31)