(2R)-2-(6-methylhepta-1,5-dien-2-yl)-4-oxidanyl-6-phenethyl-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: (2R)-2-(6-methylhepta-1,5-dien-2-yl)-4-oxidanyl-6-phenethyl-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: (2R)-4-hydroxy-2-(5-methyl-1-methylene-hex-4-enyl)-6-phenethyl-2,3-dihydrobenzofuran-5-carboxylate CAS Name: (2R)-4-hydroxy-2-(6-methylhepta-1,5-dien-2-yl)-6-phenethyl-2,3-dihydrobenzofuran-5-carboxylate IUPAC Name: (2R)-4-hydroxy-2-(6-methylhepta-1,5-dien-2-yl)-6-phenethyl-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: (2R)-4-hydroxy-2-(5-methyl-1-methylene-hex-4-enyl)-6-phenethyl-coumaran-5-carboxylate Formula: C25H27O4- MolecularWeight: 391.47948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=C)C1CC2=C(O1)C=C(C(=C2O)C(=O)[O-])CCC3=CC=CC=C3)C

Isomeric SMILES

CC(=CCCC(=C)[C@H]1CC2=C(O1)C=C(C(=C2O)C(=O)[O-])CCC3=CC=CC=C3)C

InChI

InChI=1S/C25H28O4/c1-16(2)8-7-9-17(3)21-15-20-22(29-21)14-19(23(24(20)26)25(27)28)13-12-18-10-5-4-6-11-18/h4-6,8,10-11,14,21,26H,3,7,9,12-13,15H2,1-2H3,(H,27,28)/p-1/t21-/m1/s1