(3R,7aR)-4-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-3,5,6-trimethyl-7a-morpholin-4-ylcarbonyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one

Systemtic Name: (3R,7aR)-4-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-3,5,6-trimethyl-7a-morpholin-4-ylcarbonyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one Openeye Name: (3R,7aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-3,5,6-trimethyl-7a-(morpholine-4-carbonyl)-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one CAS Name: (3R,7aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3,5,6-trimethyl-7a-[4-morpholinyl(oxo)methyl]-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one IUPAC Name: (3R,7aR)-4-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-3,5,6-trimethyl-7a-(morpholine-4-carbonyl)-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one Traditional Name: (3R,7aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-3,5,6-trimethyl-7a-(morpholine-4-carbonyl)-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one Formula: C29H33FN2O4 MolecularWeight: 492.581723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2(C(C(OC2=O)C)C(C1C)C=CC3=NC=C(C=C3)C4=CC(=CC=C4)F)C(=O)N5CCOCC5

Isomeric SMILES

C[C@@H]1C2C(C(C(C[C@]2(C(=O)O1)C(=O)N3CCOCC3)C)C)/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C29H33FN2O4/c1-18-16-29(27(33)32-11-13-35-14-12-32)26(20(3)36-28(29)34)25(19(18)2)10-9-24-8-7-22(17-31-24)21-5-4-6-23(30)15-21/h4-10,15,17-20,25-26H,11-14,16H2,1-3H3/b10-9+/t18?,19?,20-,25?,26?,29-/m1/s1