methyl 2-bromanyl-4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylcarbamoyl]benzoate

Systemtic Name: methyl 2-bromanyl-4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylcarbamoyl]benzoate Openeye Name: methyl 2-bromo-4-[[3-(tert-butoxycarbonylamino)phenyl]methylcarbamoyl]benzoate CAS Name: 2-bromo-4-[[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-bromo-4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylcarbamoyl]benzoate Traditional Name: 2-bromo-4-[[3-(tert-butoxycarbonylamino)benzyl]carbamoyl]benzoic acid methyl ester Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C21H23BrN2O5/c1-21(2,3)29-20(27)24-15-7-5-6-13(10-15)12-23-18(25)14-8-9-16(17(22)11-14)19(26)28-4/h5-11H,12H2,1-4H3,(H,23,25)(H,24,27)