[4-(4-phenoxybutoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: [4-(4-phenoxybutoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: [4-(4-phenoxybutoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone; 2,2,2-trifluoroacetic acid CAS Name: [4-(4-phenoxybutoxy)phenyl]-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone; 2,2,2-trifluoroacetic acid IUPAC Name: [4-(4-phenoxybutoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone; 2,2,2-trifluoroacetic acid Traditional Name: [4-(4-phenoxybutoxy)phenyl]-[(2S)-2-(pyrrolidinomethyl)pyrrolidino]methanone; 2,2,2-trifluoroacetic acid Formula: C28H35F3N2O5 MolecularWeight: 536.58311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCCN2C(=O)C3=CC=C(C=C3)OCCCCOC4=CC=CC=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CCN(C1)C[C@@H]2CCCN2C(=O)C3=CC=C(C=C3)OCCCCOC4=CC=CC=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C26H34N2O3.C2HF3O2/c29-26(28-18-8-9-23(28)21-27-16-4-5-17-27)22-12-14-25(15-13-22)31-20-7-6-19-30-24-10-2-1-3-11-24;3-2(4,5)1(6)7/h1-3,10-15,23H,4-9,16-21H2;(H,6,7)/t23-;/m0./s1