[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 4-[(tert-butoxycarbonylamino)methyl]benzoate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]benzoic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H25BrN2O5 MolecularWeight: 477.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CNC(=O)OC(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CNC(=O)OC(C)(C)C)Br

InChI

InChI=1S/C22H25BrN2O5/c1-14-5-10-18(17(23)11-14)25-19(26)13-29-20(27)16-8-6-15(7-9-16)12-24-21(28)30-22(2,3)4/h5-11H,12-13H2,1-4H3,(H,24,28)(H,25,26)