5-bromanyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propyl]amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propyl]amino]benzoic acid Openeye Name: 5-bromo-2-[[3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]benzoic acid Formula: C29H31BrN2O5 MolecularWeight: 567.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(CNC1=C(C=C(C=C1)Br)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(C)(C)OCC(CNC1=C(C=C(C=C1)Br)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C29H31BrN2O5/c1-29(2,3)37-16-19(15-31-26-13-12-18(30)14-24(26)27(33)34)32-28(35)36-17-25-22-10-6-4-8-20(22)21-9-5-7-11-23(21)25/h4-14,19,25,31H,15-17H2,1-3H3,(H,32,35)(H,33,34)