6-azanyl-2-[3-methyl-2-oxidanylidene-5-[4-(trifluoromethyloxy)phenyl]pyrazin-1-yl]hexanoic acid

Systemtic Name: 6-azanyl-2-[3-methyl-2-oxidanylidene-5-[4-(trifluoromethyloxy)phenyl]pyrazin-1-yl]hexanoic acid Openeye Name: 6-amino-2-[3-methyl-2-oxo-5-[4-(trifluoromethoxy)phenyl]pyrazin-1-yl]hexanoic acid CAS Name: 6-amino-2-[3-methyl-2-oxo-5-[4-(trifluoromethoxy)phenyl]-1-pyrazinyl]hexanoic acid IUPAC Name: 6-amino-2-[3-methyl-2-oxo-5-[4-(trifluoromethoxy)phenyl]pyrazin-1-yl]hexanoic acid Traditional Name: 6-amino-2-[2-keto-3-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazin-1-yl]hexanoic acid Formula: C18H20F3N3O4 MolecularWeight: 399.36431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN(C1=O)C(CCCCN)C(=O)O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC1=NC(=CN(C1=O)C(CCCCN)C(=O)O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C18H20F3N3O4/c1-11-16(25)24(15(17(26)27)4-2-3-9-22)10-14(23-11)12-5-7-13(8-6-12)28-18(19,20)21/h5-8,10,15H,2-4,9,22H2,1H3,(H,26,27)