ethyl (1S,5S,6R)-3-butoxy-1-methyl-5-phenyl-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylate

Systemtic Name: ethyl (1S,5S,6R)-3-butoxy-1-methyl-5-phenyl-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylate Openeye Name: ethyl (1S,5S,6R)-3-butoxy-1-methyl-5-phenyl-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylate CAS Name: (1S,5S,6R)-3-butoxy-1-methyl-5-phenyl-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,5S,6R)-3-butoxy-1-methyl-5-phenyl-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylate Traditional Name: (1S,5S,6R)-3-butoxy-1-methyl-5-phenyl-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylic acid ethyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2(CC(C(C1)(O2)C3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCCCOC1=C[C@@]2(C[C@H]([C@](C1)(O2)C3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C21H28O4/c1-4-6-12-24-17-13-20(3)15-18(19(22)23-5-2)21(14-17,25-20)16-10-8-7-9-11-16/h7-11,13,18H,4-6,12,14-15H2,1-3H3/t18-,20+,21+/m0/s1