2-azanyl-3-[6-[bis(fluoranyl)methyl]-1H-indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-[bis(fluoranyl)methyl]-1H-indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[6-(difluoromethyl)-1H-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[6-(difluoromethyl)-1H-indol-3-yl]propanoic acid IUPAC Name: 2-amino-3-[6-(difluoromethyl)-1H-indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[6-(difluoromethyl)-1H-indol-3-yl]propionic acid Formula: C12H12F2N2O2 MolecularWeight: 254.232686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)F)NC=C2CC(C(=O)O)N

Isomeric SMILES

C1=CC2=C(C=C1C(F)F)NC=C2CC(C(=O)O)N

InChI

InChI=1S/C12H12F2N2O2/c13-11(14)6-1-2-8-7(3-9(15)12(17)18)5-16-10(8)4-6/h1-2,4-5,9,11,16H,3,15H2,(H,17,18)