bis[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl] benzene-1,2-dicarboxylate

Systemtic Name: bis[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl] benzene-1,2-dicarboxylate Openeye Name: bis[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis[4-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-1-cyclohexylbutan-2-yl] ester IUPAC Name: bis[4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cyclohexylbutan-2-yl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propyl] ester Formula: C78H88N2O8 MolecularWeight: 1181.54192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CC2CCCCC2)OC(=O)C3=CC=CC=C3C(=O)OC(CCC4=CC(=C(C=C4)C(C)(C)C)NC(=O)CC5C6=CC=CC=C6OC7=CC=CC=C57)CC8CCCCC8)NC(=O)CC9C1=CC=CC=C1OC1=CC=CC=C91

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCC(CC2CCCCC2)OC(=O)C3=CC=CC=C3C(=O)OC(CCC4=CC(=C(C=C4)C(C)(C)C)NC(=O)CC5C6=CC=CC=C6OC7=CC=CC=C57)CC8CCCCC8)NC(=O)CC9C1=CC=CC=C1OC1=CC=CC=C91

InChI

InChI=1S/C78H88N2O8/c1-77(2,3)65-43-39-53(47-67(65)79-73(81)49-63-57-27-15-19-33-69(57)87-70-34-20-16-28-58(63)70)37-41-55(45-51-23-9-7-10-24-51)85-75(83)61-31-13-14-32-62(61)76(84)86-56(46-52-25-11-8-12-26-52)42-38-54-40-44-66(78(4,5)6)68(48-54)80-74(82)50-64-59-29-17-21-35-71(59)88-72-36-22-18-30-60(64)72/h13-22,27-36,39-40,43-44,47-48,51-52,55-56,63-64H,7-12,23-26,37-38,41-42,45-46,49-50H2,1-6H3,(H,79,81)(H,80,82)