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

Systemtic Name: methyl 3-[2-[[(1S,2R,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate Openeye Name: methyl 3-[2-[[(1S,2R,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate CAS Name: 3-[2-[[(1S,2R,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[[(1S,2R,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate Traditional Name: 3-[2-[[(1S,2R,3R,4R)-3-methylol-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propionic acid methyl ester Formula: C18H24O4 MolecularWeight: 304.38076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=CC=C1CC2C3CCC(C2CO)O3

Isomeric SMILES

COC(=O)CCC1=CC=CC=C1C[C@H]2[C@@H]3CC[C@H]([C@H]2CO)O3

InChI

InChI=1S/C18H24O4/c1-21-18(20)9-6-12-4-2-3-5-13(12)10-14-15(11-19)17-8-7-16(14)22-17/h2-5,14-17,19H,6-11H2,1H3/t14-,15+,16+,17-/m1/s1