5-azanyl-2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]heptan-3-one; ethanedioic acid

Systemtic Name: 5-azanyl-2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]heptan-3-one; ethanedioic acid Openeye Name: 5-amino-2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]heptan-3-one; oxalic acid CAS Name: 5-amino-2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]-3-heptanone; oxalic acid IUPAC Name: 5-amino-2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]heptan-3-one; oxalic acid Traditional Name: 5-amino-2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]heptan-3-one; oxalic acid Formula: C18H24F3NO5 MolecularWeight: 391.38207

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)C(C)(C)CC1=CC(=CC=C1)C(F)(F)F)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC(=O)C(C)(C)CC1=CC(=CC=C1)C(F)(F)F)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H22F3NO.C2H2O4/c1-4-13(20)9-14(21)15(2,3)10-11-6-5-7-12(8-11)16(17,18)19;3-1(4)2(5)6/h5-8,13H,4,9-10,20H2,1-3H3;(H,3,4)(H,5,6)