2-ethyl-5-[4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butyl]-1,3-dioxane-2-carboxylic acid

Systemtic Name: 2-ethyl-5-[4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butyl]-1,3-dioxane-2-carboxylic acid Openeye Name: 2-ethyl-5-[4-(5-methyl-2-phenyl-oxazol-4-yl)butyl]-1,3-dioxane-2-carboxylic acid CAS Name: 2-ethyl-5-[4-(5-methyl-2-phenyl-4-oxazolyl)butyl]-1,3-dioxane-2-carboxylic acid IUPAC Name: 2-ethyl-5-[4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butyl]-1,3-dioxane-2-carboxylic acid Traditional Name: 2-ethyl-5-[4-(5-methyl-2-phenyl-oxazol-4-yl)butyl]-1,3-dioxane-2-carboxylic acid Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(OCC(CO1)CCCCC2=C(OC(=N2)C3=CC=CC=C3)C)C(=O)O

Isomeric SMILES

CCC1(OCC(CO1)CCCCC2=C(OC(=N2)C3=CC=CC=C3)C)C(=O)O

InChI

InChI=1S/C21H27NO5/c1-3-21(20(23)24)25-13-16(14-26-21)9-7-8-12-18-15(2)27-19(22-18)17-10-5-4-6-11-17/h4-6,10-11,16H,3,7-9,12-14H2,1-2H3,(H,23,24)