[2-[[3-methoxy-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-benzamidoethanoate

Systemtic Name: [2-[[3-methoxy-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-benzamidoethanoate Openeye Name: [2-[3-methoxy-5-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [2-[3-methoxy-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[3-methoxy-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [2-keto-2-[3-methoxy-5-(trifluoromethyl)anilino]-1-phenyl-ethyl] ester Formula: C25H21F3N2O5 MolecularWeight: 486.43985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C25H21F3N2O5/c1-34-20-13-18(25(26,27)28)12-19(14-20)30-24(33)22(16-8-4-2-5-9-16)35-21(31)15-29-23(32)17-10-6-3-7-11-17/h2-14,22H,15H2,1H3,(H,29,32)(H,30,33)