bis[8-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonyloxyoctyl] 5-azanylbenzene-1,3-dicarboxylate

Systemtic Name: bis[8-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonyloxyoctyl] 5-azanylbenzene-1,3-dicarboxylate Openeye Name: bis[8-[4-(tert-butoxycarbonylamino)benzoyl]oxyoctyl] 5-aminobenzene-1,3-dicarboxylate CAS Name: 5-aminobenzene-1,3-dicarboxylic acid bis[8-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-oxomethoxy]octyl] ester IUPAC Name: bis[8-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxyoctyl] 5-aminobenzene-1,3-dicarboxylate Traditional Name: 5-aminobenzene-1,3-dicarboxylic acid bis[8-[4-(tert-butoxycarbonylamino)benzoyl]oxyoctyl] ester Formula: C48H65N3O12 MolecularWeight: 876.0426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCCCCCCCCOC(=O)C2=CC(=CC(=C2)N)C(=O)OCCCCCCCCOC(=O)C3=CC=C(C=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCCCCCCCCOC(=O)C2=CC(=CC(=C2)N)C(=O)OCCCCCCCCOC(=O)C3=CC=C(C=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C48H65N3O12/c1-47(2,3)62-45(56)50-39-23-19-34(20-24-39)41(52)58-27-15-11-7-9-13-17-29-60-43(54)36-31-37(33-38(49)32-36)44(55)61-30-18-14-10-8-12-16-28-59-42(53)35-21-25-40(26-22-35)51-46(57)63-48(4,5)6/h19-26,31-33H,7-18,27-30,49H2,1-6H3,(H,50,56)(H,51,57)