4-[[3-[(2S)-2-azanyl-3-[(2S)-2-cyanocyclopentyl]-3-oxidanylidene-propyl]-1H-indol-5-yl]oxy]benzoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-[[3-[(2S)-2-azanyl-3-[(2S)-2-cyanocyclopentyl]-3-oxidanylidene-propyl]-1H-indol-5-yl]oxy]benzoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[[3-[(2S)-2-amino-3-[(2S)-2-cyanocyclopentyl]-3-oxo-propyl]-1H-indol-5-yl]oxy]benzoic acid; 2,2,2-trifluoroacetic acid CAS Name: 4-[[3-[(2S)-2-amino-3-[(2S)-2-cyanocyclopentyl]-3-oxopropyl]-1H-indol-5-yl]oxy]benzoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 4-[[3-[(2S)-2-amino-3-[(2S)-2-cyanocyclopentyl]-3-oxopropyl]-1H-indol-5-yl]oxy]benzoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 4-[[3-[(2S)-2-amino-3-[(2S)-2-cyanocyclopentyl]-3-keto-propyl]-1H-indol-5-yl]oxy]benzoic acid; 2,2,2-trifluoroacetic acid Formula: C26H24F3N3O6 MolecularWeight: 531.48047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)C(=O)C(CC2=CNC3=C2C=C(C=C3)OC4=CC=C(C=C4)C(=O)O)N)C#N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C[C@@H](C(C1)C(=O)[C@H](CC2=CNC3=C2C=C(C=C3)OC4=CC=C(C=C4)C(=O)O)N)C#N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C24H23N3O4.C2HF3O2/c25-12-15-2-1-3-19(15)23(28)21(26)10-16-13-27-22-9-8-18(11-20(16)22)31-17-6-4-14(5-7-17)24(29)30;3-2(4,5)1(6)7/h4-9,11,13,15,19,21,27H,1-3,10,26H2,(H,29,30);(H,6,7)/t15-,19?,21+;/m1./s1