4-[1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-6-cyclohexyl-hexan-3-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-6-cyclohexyl-hexan-3-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]-4-cyclohexyl-butoxy]-4-oxo-butanoic acid CAS Name: 4-[1-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-6-cyclohexylhexan-3-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-6-cyclohexylhexan-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[1-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]-4-cyclohexyl-butoxy]-4-keto-butyric acid Formula: C41H51NO6 MolecularWeight: 653.84674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CCCC2CCCCC2)OC(=O)CCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCC(CCCC2CCCCC2)OC(=O)CCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C41H51NO6/c1-41(2,3)34-23-21-29(20-22-30(47-40(46)25-24-39(44)45)15-11-14-28-12-5-4-6-13-28)26-35(34)42-38(43)27-33-31-16-7-9-18-36(31)48-37-19-10-8-17-32(33)37/h7-10,16-19,21,23,26,28,30,33H,4-6,11-15,20,22,24-25,27H2,1-3H3,(H,42,43)(H,44,45)