tert-butyl 3-bromanyl-4-[[(2-methylpropan-2-yl)oxycarbonyl-phenethyl-amino]methyl]benzoate

Systemtic Name: tert-butyl 3-bromanyl-4-[[(2-methylpropan-2-yl)oxycarbonyl-phenethyl-amino]methyl]benzoate Openeye Name: tert-butyl 3-bromo-4-[[tert-butoxycarbonyl(phenethyl)amino]methyl]benzoate CAS Name: 3-bromo-4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenethylamino]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-bromo-4-[[(2-methylpropan-2-yl)oxycarbonyl-phenethylamino]methyl]benzoate Traditional Name: 3-bromo-4-[[tert-butoxycarbonyl(phenethyl)amino]methyl]benzoic acid tert-butyl ester Formula: C25H32BrNO4 MolecularWeight: 490.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CN(CCC2=CC=CC=C2)C(=O)OC(C)(C)C)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CN(CCC2=CC=CC=C2)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C25H32BrNO4/c1-24(2,3)30-22(28)19-12-13-20(21(26)16-19)17-27(23(29)31-25(4,5)6)15-14-18-10-8-7-9-11-18/h7-13,16H,14-15,17H2,1-6H3