(Q27280997)

Sodium (6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3-hydroxy-5-oxo-6-heptenoate (English)

14 October 2016

chemical formula

C₂₄H₂₃FNNaO₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)N1C2=CC=CC=C2C(=C1C=CC(=O)CC(CC(=O)[O-])O)C3=CC=C(C=C3)F.[Na+]

1 reference

(E)-(+/-)-7-(3-(4-fluorophenyl)-1-(methylethyl)-1H-indol-2-yl)-3-hydroxy-5-oxo-6-heptenoic acid monosodium (English)

14 October 2016

isomeric SMILES

CC(C)N1C2=CC=CC=C2C(=C1/C=C/C(=O)CC(CC(=O)[O-])O)C3=CC=C(C=C3)F.[Na+]

1 reference

(E)-(+/-)-7-(3-(4-fluorophenyl)-1-(methylethyl)-1H-indol-2-yl)-3-hydroxy-5-oxo-6-heptenoic acid monosodium (English)

InChI=1S/C24H24FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,19,28H,13-14H2,1-2H3,(H,29,30);/q;+1/p-1/b12-11+;

14 October 2016

Identifiers

InChI

1 reference

(E)-(+/-)-7-(3-(4-fluorophenyl)-1-(methylethyl)-1H-indol-2-yl)-3-hydroxy-5-oxo-6-heptenoic acid monosodium (English)

ASIFSDNTCQNNPH-CALJPSDSSA-M

14 October 2016

InChIKey

1 reference

(E)-(+/-)-7-(3-(4-fluorophenyl)-1-(methylethyl)-1H-indol-2-yl)-3-hydroxy-5-oxo-6-heptenoic acid monosodium (English)

14 October 2016

1 reference

matched by identifier from

Sodium (6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3-hydroxy-5-oxo-6-heptenoate (English)

14 October 2016

2 references

26 December 2021

InChIKey

ASIFSDNTCQNNPH-CALJPSDSSA-M

1 reference

2 references