methyl 4-[(3aS,7aS)-3a,4,5,7a-tetrahydro-1-benzofuran-2-yl]benzoate

Systemtic Name: methyl 4-[(3aS,7aS)-3a,4,5,7a-tetrahydro-1-benzofuran-2-yl]benzoate Openeye Name: methyl 4-[(3aS,7aS)-3a,4,5,7a-tetrahydrobenzofuran-2-yl]benzoate CAS Name: 4-[(3aS,7aS)-3a,4,5,7a-tetrahydrobenzofuran-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3aS,7aS)-3a,4,5,7a-tetrahydro-1-benzofuran-2-yl]benzoate Traditional Name: 4-[(3aS,7aS)-3a,4,5,7a-tetrahydrobenzofuran-2-yl]benzoic acid methyl ester Formula: C16H16O3 MolecularWeight: 256.29644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC3CCC=CC3O2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C[C@@H]3CCC=C[C@@H]3O2

InChI

InChI=1S/C16H16O3/c1-18-16(17)12-8-6-11(7-9-12)15-10-13-4-2-3-5-14(13)19-15/h3,5-10,13-14H,2,4H2,1H3/t13-,14-/m0/s1