methyl (7aS)-6-(4-fluorophenyl)-1,3,7,7a-tetrahydro-2-benzofuran-5-carboxylate

Systemtic Name: methyl (7aS)-6-(4-fluorophenyl)-1,3,7,7a-tetrahydro-2-benzofuran-5-carboxylate Openeye Name: methyl (7aS)-6-(4-fluorophenyl)-1,3,7,7a-tetrahydroisobenzofuran-5-carboxylate CAS Name: (7aS)-6-(4-fluorophenyl)-1,3,7,7a-tetrahydroisobenzofuran-5-carboxylic acid methyl ester IUPAC Name: methyl (7aS)-6-(4-fluorophenyl)-1,3,7,7a-tetrahydro-2-benzofuran-5-carboxylate Traditional Name: (7aS)-6-(4-fluorophenyl)-1,3,7,7a-tetrahydroisobenzofuran-5-carboxylic acid methyl ester Formula: C16H15FO3 MolecularWeight: 274.286903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2COCC2=C1)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C[C@@H]2COCC2=C1)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H15FO3/c1-19-16(18)15-7-12-9-20-8-11(12)6-14(15)10-2-4-13(17)5-3-10/h2-5,7,11H,6,8-9H2,1H3/t11-/m1/s1