methyl 4-[2-[2-[(1S,2R,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]phenyl]butanoate

Systemtic Name: methyl 4-[2-[2-[(1S,2R,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]phenyl]butanoate Openeye Name: methyl 4-[2-[2-[(1S,2R,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]phenyl]butanoate CAS Name: 4-[2-[2-[(1S,2R,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[2-[(1S,2R,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]phenyl]butanoate Traditional Name: 4-[2-[2-[(1S,2R,3R,4R)-3-methylol-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]phenyl]butyric acid methyl ester Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=CC=C1CCC2C3CCC(C2CO)O3

Isomeric SMILES

COC(=O)CCCC1=CC=CC=C1CC[C@H]2[C@@H]3CC[C@H]([C@H]2CO)O3

InChI

InChI=1S/C20H28O4/c1-23-20(22)8-4-7-14-5-2-3-6-15(14)9-10-16-17(13-21)19-12-11-18(16)24-19/h2-3,5-6,16-19,21H,4,7-13H2,1H3/t16-,17+,18+,19-/m1/s1