(E)-2-[[(4-bromophenyl)methyl-cyclopropyl-amino]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-[[(4-bromophenyl)methyl-cyclopropyl-amino]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-2-[[(4-bromophenyl)methyl-cyclopropyl-amino]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid CAS Name: (E)-2-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]-3-[4-(trifluoromethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-2-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-2-[[(4-bromobenzyl)-cyclopropyl-amino]methyl]-3-[4-(trifluoromethyl)phenyl]acrylic acid Formula: C21H19BrF3NO2 MolecularWeight: 454.28027

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=C(C=C2)Br)CC(=CC3=CC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC1N(CC2=CC=C(C=C2)Br)C/C(=C\C3=CC=C(C=C3)C(F)(F)F)/C(=O)O

InChI

InChI=1S/C21H19BrF3NO2/c22-18-7-3-15(4-8-18)12-26(19-9-10-19)13-16(20(27)28)11-14-1-5-17(6-2-14)21(23,24)25/h1-8,11,19H,9-10,12-13H2,(H,27,28)/b16-11+