2-ethylbutyl (3S,4aR,6R,8aR)-6-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-ethylbutyl (3S,4aR,6R,8aR)-6-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-ethylbutyl (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid 2-ethylbutyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: 2-ethylbutyl (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid 2-ethylbutyl ester; 2,2,2-trifluoroacetic acid Formula: C21H34F3N5O4 MolecularWeight: 477.52097

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC(=O)C1CC2CC(CCC2CN1)CCC3=NNN=N3.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCC(CC)COC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)CCC3=NNN=N3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H33N5O2.C2HF3O2/c1-3-13(4-2)12-26-19(25)17-10-16-9-14(5-7-15(16)11-20-17)6-8-18-21-23-24-22-18;3-2(4,5)1(6)7/h13-17,20H,3-12H2,1-2H3,(H,21,22,23,24);(H,6,7)/t14-,15+,16-,17+;/m1./s1