4-fluoranyl-4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole

Systemtic Name: 4-fluoranyl-4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole Openeye Name: 4-fluoro-4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole CAS Name: 4-fluoro-4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole IUPAC Name: 4-fluoro-4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole Traditional Name: 4-fluoro-4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole Formula: C27H28FNO MolecularWeight: 401.515723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2(CCC(C3C2CNC3)(C4=CC=CC=C4)C5=CC=CC=C5)F

Isomeric SMILES

COC1=CC=CC=C1C2(CCC(C3C2CNC3)(C4=CC=CC=C4)C5=CC=CC=C5)F

InChI

InChI=1S/C27H28FNO/c1-30-25-15-9-8-14-22(25)27(28)17-16-26(20-10-4-2-5-11-20,21-12-6-3-7-13-21)23-18-29-19-24(23)27/h2-15,23-24,29H,16-19H2,1H3