(2S)-2-azanyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-N-[3,4,5-tris(fluoranyl)phenyl]propanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-N-[3,4,5-tris(fluoranyl)phenyl]propanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S)-2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]-N-(3,4,5-trifluorophenyl)propanamide; 2,2,2-trifluoroacetic acid CAS Name: (2S)-2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(3,4,5-trifluorophenyl)propanamide; 2,2,2-trifluoroacetic acid IUPAC Name: (2S)-2-amino-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-N-(3,4,5-trifluorophenyl)propanamide; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]-N-(3,4,5-trifluorophenyl)propionamide; 2,2,2-trifluoroacetic acid Formula: C25H17F12N3O6 MolecularWeight: 683.399818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC2=CC(=C(C(=C2)F)F)F)N)OC3=NC=C(C=C3)C(F)(F)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)NC2=CC(=C(C(=C2)F)F)F)N)OC3=NC=C(C=C3)C(F)(F)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H15F6N3O2.2C2HF3O2/c22-15-8-13(9-16(23)19(15)24)30-20(31)17(28)7-11-1-4-14(5-2-11)32-18-6-3-12(10-29-18)21(25,26)27;2*3-2(4,5)1(6)7/h1-6,8-10,17H,7,28H2,(H,30,31);2*(H,6,7)/t17-;;/m0../s1