2-methyl-5-(5-phenyl-5-pyridin-4-yl-pentyl)-1,3-dioxane-2-carboxylic acid

Systemtic Name: 2-methyl-5-(5-phenyl-5-pyridin-4-yl-pentyl)-1,3-dioxane-2-carboxylic acid Openeye Name: 2-methyl-5-[5-phenyl-5-(4-pyridyl)pentyl]-1,3-dioxane-2-carboxylic acid CAS Name: 2-methyl-5-(5-phenyl-5-pyridin-4-ylpentyl)-1,3-dioxane-2-carboxylic acid IUPAC Name: 2-methyl-5-(5-phenyl-5-pyridin-4-ylpentyl)-1,3-dioxane-2-carboxylic acid Traditional Name: 2-methyl-5-[5-phenyl-5-(4-pyridyl)pentyl]-1,3-dioxane-2-carboxylic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCC(C2=CC=CC=C2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)CCCCC(C2=CC=CC=C2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C22H27NO4/c1-22(21(24)25)26-15-17(16-27-22)7-5-6-10-20(18-8-3-2-4-9-18)19-11-13-23-14-12-19/h2-4,8-9,11-14,17,20H,5-7,10,15-16H2,1H3,(H,24,25)