3-azanyl-3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 3-azanyl-3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid Openeye Name: 3-amino-3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid CAS Name: 3-amino-3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 3-amino-3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid Traditional Name: 3-amino-3-[3,5-bis(trifluoromethyl)phenyl]propionic acid Formula: C11H9F6NO2 MolecularWeight: 301.185079

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(CC(=O)O)N

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(CC(=O)O)N

InChI

InChI=1S/C11H9F6NO2/c12-10(13,14)6-1-5(8(18)4-9(19)20)2-7(3-6)11(15,16)17/h1-3,8H,4,18H2,(H,19,20)