ethyl (4aR,8aR)-2-phenyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: ethyl (4aR,8aR)-2-phenyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine-3-carboxylate Openeye Name: ethyl (4aR,8aR)-2-phenyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine-3-carboxylate CAS Name: (4aR,8aR)-2-phenyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxin-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4aR,8aR)-2-phenyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine-3-carboxylate Traditional Name: (4aR,8aR)-2-phenyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxin-3-carboxylic acid ethyl ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2CCCCC2O1)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(O[C@@H]2CCCC[C@H]2O1)C3=CC=CC=C3

InChI

InChI=1S/C17H20O4/c1-2-19-17(18)16-15(12-8-4-3-5-9-12)20-13-10-6-7-11-14(13)21-16/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3/t13-,14-/m1/s1