methyl 2-methyl-5-[4-[4-(phenylmethyl)phenoxy]butyl]-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 2-methyl-5-[4-[4-(phenylmethyl)phenoxy]butyl]-1,3-dioxane-2-carboxylate Openeye Name: methyl 5-[4-(4-benzylphenoxy)butyl]-2-methyl-1,3-dioxane-2-carboxylate CAS Name: 2-methyl-5-[4-[4-(phenylmethyl)phenoxy]butyl]-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-(4-benzylphenoxy)butyl]-2-methyl-1,3-dioxane-2-carboxylate Traditional Name: 5-[4-(4-benzylphenoxy)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C24H30O5 MolecularWeight: 398.492

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCOC2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1(OCC(CO1)CCCCOC2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H30O5/c1-24(23(25)26-2)28-17-21(18-29-24)10-6-7-15-27-22-13-11-20(12-14-22)16-19-8-4-3-5-9-19/h3-5,8-9,11-14,21H,6-7,10,15-18H2,1-2H3