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

Systemtic Name: (3R,3aS,4S,5R,6S,7aS)-7a-azanyl-4-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-3,5,6-trimethyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one Openeye Name: (3R,3aS,4S,5R,6S,7aS)-7a-amino-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-3,5,6-trimethyl-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one CAS Name: (3R,3aS,4S,5R,6S,7aS)-7a-amino-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3,5,6-trimethyl-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one IUPAC Name: (3R,3aS,4S,5R,6S,7aS)-7a-amino-4-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-3,5,6-trimethyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one Traditional Name: (3R,3aS,4S,5R,6S,7aS)-7a-amino-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-3,5,6-trimethyl-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one Formula: C24H27FN2O2 MolecularWeight: 394.481783

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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)N

Isomeric SMILES

C[C@H]1C[C@@]2([C@@H]([C@H](OC2=O)C)[C@H]([C@@H]1C)/C=C/C3=NC=C(C=C3)C4=CC(=CC=C4)F)N

InChI

InChI=1S/C24H27FN2O2/c1-14-12-24(26)22(16(3)29-23(24)28)21(15(14)2)10-9-20-8-7-18(13-27-20)17-5-4-6-19(25)11-17/h4-11,13-16,21-22H,12,26H2,1-3H3/b10-9+/t14-,15+,16+,21-,22-,24-/m0/s1