methyl (1R,3aR,4R,5R,7aS)-1-methyl-3-oxidanylidene-5-phenyl-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate

Systemtic Name: methyl (1R,3aR,4R,5R,7aS)-1-methyl-3-oxidanylidene-5-phenyl-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Openeye Name: methyl (1R,3aR,4R,5R,7aS)-1-methyl-3-oxo-5-phenyl-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylate CAS Name: (1R,3aR,4R,5R,7aS)-1-methyl-3-oxo-5-phenyl-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,3aR,4R,5R,7aS)-1-methyl-3-oxo-5-phenyl-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Traditional Name: (1R,3aR,4R,5R,7aS)-3-keto-1-methyl-5-phenyl-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester Formula: C17H18O4 MolecularWeight: 286.32242

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C=CC(C(C2C(=O)O1)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@H]2C=C[C@H]([C@H]([C@@H]2C(=O)O1)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C17H18O4/c1-10-12-8-9-13(11-6-4-3-5-7-11)15(16(18)20-2)14(12)17(19)21-10/h3-10,12-15H,1-2H3/t10-,12-,13+,14-,15-/m1/s1