4-[1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-5-cyclohexyl-pentan-3-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-5-cyclohexyl-pentan-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]-3-cyclohexyl-propoxy]-4-oxo-butanoic acid CAS Name: 4-[1-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-5-cyclohexylpentan-3-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-5-cyclohexylpentan-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[1-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]-3-cyclohexyl-propoxy]-4-keto-butyric acid Formula: C40H49NO6 MolecularWeight: 639.82016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CCC2CCCCC2)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(CCC2CCCCC2)OC(=O)CCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C40H49NO6/c1-40(2,3)33-22-19-28(18-21-29(46-39(45)24-23-38(43)44)20-17-27-11-5-4-6-12-27)25-34(33)41-37(42)26-32-30-13-7-9-15-35(30)47-36-16-10-8-14-31(32)36/h7-10,13-16,19,22,25,27,29,32H,4-6,11-12,17-18,20-21,23-24,26H2,1-3H3,(H,41,42)(H,43,44)