methyl (1R,3S,8aR)-1-phenyl-3,4,6,7,8,8a-hexahydro-1H-isochromene-3-carboxylate

Systemtic Name: methyl (1R,3S,8aR)-1-phenyl-3,4,6,7,8,8a-hexahydro-1H-isochromene-3-carboxylate Openeye Name: methyl (1R,3S,8aR)-1-phenyl-3,4,6,7,8,8a-hexahydro-1H-isochromene-3-carboxylate CAS Name: (1R,3S,8aR)-1-phenyl-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S,8aR)-1-phenyl-3,4,6,7,8,8a-hexahydro-1H-isochromene-3-carboxylate Traditional Name: (1R,3S,8aR)-1-phenyl-3,4,6,7,8,8a-hexahydro-1H-isochromene-3-carboxylic acid methyl ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CCCCC2C(O1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1CC2=CCCC[C@H]2[C@@H](O1)C3=CC=CC=C3

InChI

InChI=1S/C17H20O3/c1-19-17(18)15-11-13-9-5-6-10-14(13)16(20-15)12-7-3-2-4-8-12/h2-4,7-9,14-16H,5-6,10-11H2,1H3/t14-,15+,16+/m1/s1