5-bromanyl-2-[[3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]benzoic acid Openeye Name: 5-bromo-2-[[2-(tert-butoxycarbonylamino)-3-(4-methoxyphenyl)propyl]amino]benzoic acid CAS Name: 5-bromo-2-[[3-(4-methoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-(tert-butoxycarbonylamino)-3-(4-methoxyphenyl)propyl]amino]benzoic acid Formula: C22H27BrN2O5 MolecularWeight: 479.36418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC)CNC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC)CNC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C22H27BrN2O5/c1-22(2,3)30-21(28)25-16(11-14-5-8-17(29-4)9-6-14)13-24-19-10-7-15(23)12-18(19)20(26)27/h5-10,12,16,24H,11,13H2,1-4H3,(H,25,28)(H,26,27)