4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid

Systemtic Name: 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid Openeye Name: 3-[(tert-butoxycarbonylamino)methyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid CAS Name: 4-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid Traditional Name: 3-[(tert-butoxycarbonylamino)methyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C28H28N2O6/c1-28(2,3)36-26(33)29-15-18-14-17(25(31)32)12-13-24(18)30-27(34)35-16-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-14,23H,15-16H2,1-3H3,(H,29,33)(H,30,34)(H,31,32)