ethyl 2-[3-[[2-benzamido-3-ethoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-propan-2-yl]amino]phenyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate

Systemtic Name: ethyl 2-[3-[[2-benzamido-3-ethoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-propan-2-yl]amino]phenyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: ethyl 2-[3-[(1-benzamido-1-ethoxycarbonyl-2,2,2-trifluoro-ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: 2-[3-[(2-benzamido-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[(2-benzamido-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: 2-[3-[(1-benzamido-1-carbethoxy-2,2,2-trifluoro-ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester Formula: C23H22F6N2O6 MolecularWeight: 536.420999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=CC=C1)NC(C(=O)OCC)(C(F)(F)F)NC(=O)C2=CC=CC=C2)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C(C1=CC(=CC=C1)NC(C(=O)OCC)(C(F)(F)F)NC(=O)C2=CC=CC=C2)(C(F)(F)F)O

InChI

InChI=1S/C23H22F6N2O6/c1-3-36-18(33)20(35,22(24,25)26)15-11-8-12-16(13-15)30-21(23(27,28)29,19(34)37-4-2)31-17(32)14-9-6-5-7-10-14/h5-13,30,35H,3-4H2,1-2H3,(H,31,32)