ethyl (3S,3aR,4R)-3-methoxy-4-methyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate

Systemtic Name: ethyl (3S,3aR,4R)-3-methoxy-4-methyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate Openeye Name: ethyl (3S,3aR,4R)-3-methoxy-4-methyl-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylate CAS Name: (3S,3aR,4R)-3-methoxy-4-methyl-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,3aR,4R)-3-methoxy-4-methyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate Traditional Name: (3S,3aR,4R)-3-methoxy-4-methyl-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylic acid ethyl ester Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(C(CC1)C)C(CO2)OC

Isomeric SMILES

CCOC(=O)C1=C2[C@H]([C@@H](CC1)C)[C@@H](CO2)OC

InChI

InChI=1S/C13H20O4/c1-4-16-13(14)9-6-5-8(2)11-10(15-3)7-17-12(9)11/h8,10-11H,4-7H2,1-3H3/t8-,10-,11-/m1/s1