ethyl (1S,3S)-9-acetyloxy-1,3-dimethyl-5-phenylmethoxy-3,4-dihydro-1H-benzo[g]isochromene-7-carboxylate

Systemtic Name: ethyl (1S,3S)-9-acetyloxy-1,3-dimethyl-5-phenylmethoxy-3,4-dihydro-1H-benzo[g]isochromene-7-carboxylate Openeye Name: ethyl (1S,3S)-9-acetoxy-5-benzyloxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-7-carboxylate CAS Name: (1S,3S)-9-acetyloxy-1,3-dimethyl-5-phenylmethoxy-3,4-dihydro-1H-benzo[g][2]benzopyran-7-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,3S)-9-acetyloxy-1,3-dimethyl-5-phenylmethoxy-3,4-dihydro-1H-benzo[g]isochromene-7-carboxylate Traditional Name: (1S,3S)-9-acetoxy-5-benzoxy-1,3-dimethyl-3,4-dihydro-1H-benz[g]isochromene-7-carboxylic acid ethyl ester Formula: C27H28O6 MolecularWeight: 448.50762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C=C3C(OC(CC3=C(C2=C1)OCC4=CC=CC=C4)C)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C2C=C3[C@@H](O[C@H](CC3=C(C2=C1)OCC4=CC=CC=C4)C)C)OC(=O)C

InChI

InChI=1S/C27H28O6/c1-5-30-27(29)20-12-24-22(25(13-20)33-18(4)28)14-21-17(3)32-16(2)11-23(21)26(24)31-15-19-9-7-6-8-10-19/h6-10,12-14,16-17H,5,11,15H2,1-4H3/t16-,17-/m0/s1