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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrNO4/c1-24(2,3)19-14-13-18(22(28)30-7)21(20(19)26)27(23(29)31-25(4,5)6)16-15-17-11-9-8-10-12-17/h8-14H,15-16H2,1-7H3