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

Systemtic Name: 5-[4-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]butyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[4-[2-(3,4-dimethylphenyl)-5-methyl-oxazol-4-yl]butyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[4-[2-(3,4-dimethylphenyl)-5-methyl-4-oxazolyl]butyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[4-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]butyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[4-[2-(3,4-dimethylphenyl)-5-methyl-oxazol-4-yl]butyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C22H29NO5 MolecularWeight: 387.46936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=C(O2)C)CCCCC3COC(OC3)(C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=C(O2)C)CCCCC3COC(OC3)(C)C(=O)O)C

InChI

InChI=1S/C22H29NO5/c1-14-9-10-18(11-15(14)2)20-23-19(16(3)28-20)8-6-5-7-17-12-26-22(4,21(24)25)27-13-17/h9-11,17H,5-8,12-13H2,1-4H3,(H,24,25)