2-azanyl-1,7-diphenyl-heptane-3,4-diol; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-azanyl-1,7-diphenyl-heptane-3,4-diol; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-amino-1,7-diphenyl-heptane-3,4-diol; 2,2,2-trifluoroacetic acid CAS Name: 2-amino-1,7-diphenylheptane-3,4-diol; 2,2,2-trifluoroacetic acid IUPAC Name: 2-amino-1,7-diphenylheptane-3,4-diol; 2,2,2-trifluoroacetic acid Traditional Name: 2-amino-1,7-diphenyl-heptane-3,4-diol; 2,2,2-trifluoroacetic acid Formula: C21H26F3NO4 MolecularWeight: 413.43065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(C(C(CC2=CC=CC=C2)N)O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(C(C(CC2=CC=CC=C2)N)O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H25NO2.C2HF3O2/c20-17(14-16-10-5-2-6-11-16)19(22)18(21)13-7-12-15-8-3-1-4-9-15;3-2(4,5)1(6)7/h1-6,8-11,17-19,21-22H,7,12-14,20H2;(H,6,7)