ethanoic acid; (2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one

Systemtic Name: ethanoic acid; (2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one Openeye Name: acetic acid; (2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one CAS Name: acetic acid; (2R)-2-methyl-3-(1-pyrrolidinyl)-1-[4-(trifluoromethyl)phenyl]-1-propanone IUPAC Name: acetic acid; (2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one Traditional Name: acetic acid; (2R)-2-methyl-3-pyrrolidino-1-[4-(trifluoromethyl)phenyl]propan-1-one Formula: C17H22F3NO3 MolecularWeight: 345.35669

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1)C(=O)C2=CC=C(C=C2)C(F)(F)F.CC(=O)O

Isomeric SMILES

C[C@H](CN1CCCC1)C(=O)C2=CC=C(C=C2)C(F)(F)F.CC(=O)O

InChI

InChI=1S/C15H18F3NO.C2H4O2/c1-11(10-19-8-2-3-9-19)14(20)12-4-6-13(7-5-12)15(16,17)18;1-2(3)4/h4-7,11H,2-3,8-10H2,1H3;1H3,(H,3,4)/t11-;/m1./s1