2-[[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(methylamino)-4-oxidanylidene-butanoyl]-methyl-amino]propanoic acid

Systemtic Name: 2-[[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(methylamino)-4-oxidanylidene-butanoyl]-methyl-amino]propanoic acid Openeye Name: 2-[[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(methylamino)-4-oxo-butanoyl]-methyl-amino]propanoic acid CAS Name: 2-[[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(methylamino)-1,4-dioxobutyl]-methylamino]propanoic acid IUPAC Name: 2-[[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(methylamino)-4-oxobutanoyl]-methylamino]propanoic acid Traditional Name: 2-[[2-[4-[3,5-bis(trifluoromethyl)benzyl]oxyphenyl]-4-keto-4-(methylamino)butanoyl]-methyl-amino]propionic acid Formula: C24H24F6N2O5 MolecularWeight: 534.448179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C)C(=O)C(CC(=O)NC)C1=CC=C(C=C1)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C(=O)O)N(C)C(=O)C(CC(=O)NC)C1=CC=C(C=C1)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H24F6N2O5/c1-13(22(35)36)32(3)21(34)19(11-20(33)31-2)15-4-6-18(7-5-15)37-12-14-8-16(23(25,26)27)10-17(9-14)24(28,29)30/h4-10,13,19H,11-12H2,1-3H3,(H,31,33)(H,35,36)