Synonyms
(3S,7aS)-3-[6-[(3S,7aS)-1,1-Diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl]pyridin-2-yl]-1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazole
IUPAC Name
(3S,7aS)-3-[6-[(3S,7aS)-1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl]pyridin-2-yl]-1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazole
Molecular Formula
C41H39N3O2
InChI
UFOJHPHCTXHMFQ-GTKRZRNESA-N
InChI Key
InChI=1S/C41H39N3O2/c1-5-16-30(17-6-1)40(31-18-7-2-8-19-31)36-26-14-28-43(36)38(45-40)34-24-13-25-35(42-34)39-44-29-15-27-37(44)41(46-39,32-20-9-3-10-21-32)33-22-11-4-12-23-33/h1-13,16-25,36-39H,14-15,26-29H2/t36-,37-,38-,39-/m0/s1
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
Isomeric SMILES
C1C[C@H]2C(O[C@H](N2C1)C3=NC(=CC=C3)[C@H]4N5CCC[C@H]5C(O4)(C6=CC=CC=C6)C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9
Monoisotopic Mass
605.30422750
Topological Polar Surface Area
37.8 Ų