(Q27210135)

MLS000882764 (English)

11 October 2016

chemical formula

C₂₈H₂₆FNO

1 reference

MLS000882764 (English)

11 October 2016

canonical SMILES

CC1=CC(=C(C=C1)F)C2C3C=CCC(C3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5

1 reference

MLS000882764 (English)

11 October 2016

isomeric SMILES

CC1=CC(=C(C=C1)F)[C@H]2C3C=CCC(C3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5

1 reference

MLS000882764 (English)

InChI=1S/C28H26FNO/c1-19-15-16-25(29)24(17-19)27-23-14-8-13-22(21-11-6-3-7-12-21)26(23)28(31)30(27)18-20-9-4-2-5-10-20/h2-12,14-17,22-23,26-27H,13,18H2,1H3/t22?,23?,26?,27-/m1/s1

11 October 2016

Identifiers

InChI

1 reference

MLS000882764 (English)

JKQUHEGFTUFCCP-RHMNNOFSSA-N

11 October 2016

InChIKey

2 references

MLS000882764 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3R)-2-Benzyl-3-(2-fluoro-5-methylphenyl)-7-phenyl-2,3,3a,6,7,7a-hexahydro-1H-isoindol-1-one (English)

11 October 2016

1 reference

(3R)-2-Benzyl-3-(2-fluoro-5-methylphenyl)-7-phenyl-2,3,3a,6,7,7a-hexahydro-1H-isoindol-1-one (English)

11 October 2016

1 reference

MLS000882764 (English)

11 October 2016

ChEBI ID

121575

mapping relation type

1 reference

(3R)-3-(2-fluoro-5-methylphenyl)-7-phenyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one (English)

11 October 2016

1 reference