2-[1-carbamimidoyl-2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid

Systemtic Name: 2-[1-carbamimidoyl-2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid Openeye Name: 2-[1-carbamimidoyl-2-[3-(trifluoromethyl)phenyl]-4-piperidyl]propanoic acid CAS Name: 2-[1-carbamimidoyl-2-[3-(trifluoromethyl)phenyl]-4-piperidinyl]propanoic acid IUPAC Name: 2-[1-carbamimidoyl-2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid Traditional Name: 2-[1-amidino-2-[3-(trifluoromethyl)phenyl]-4-piperidyl]propionic acid Formula: C16H20F3N3O2 MolecularWeight: 343.34411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(C(C1)C2=CC(=CC=C2)C(F)(F)F)C(=N)N)C(=O)O

Isomeric SMILES

CC(C1CCN(C(C1)C2=CC(=CC=C2)C(F)(F)F)C(=N)N)C(=O)O

InChI

InChI=1S/C16H20F3N3O2/c1-9(14(23)24)10-5-6-22(15(20)21)13(8-10)11-3-2-4-12(7-11)16(17,18)19/h2-4,7,9-10,13H,5-6,8H2,1H3,(H3,20,21)(H,23,24)