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

Systemtic Name: 4-[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cycloheptyl-butan-2-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cycloheptylmethyl)propoxy]-4-oxo-butanoic acid CAS Name: 4-[4-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-1-cycloheptylbutan-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cycloheptylbutan-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cycloheptylmethyl)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(CC2CCCCCC2)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(CC2CCCCCC2)OC(=O)CCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C40H49NO6/c1-40(2,3)33-21-19-28(18-20-29(46-39(45)23-22-38(43)44)24-27-12-6-4-5-7-13-27)25-34(33)41-37(42)26-32-30-14-8-10-16-35(30)47-36-17-11-9-15-31(32)36/h8-11,14-17,19,21,25,27,29,32H,4-7,12-13,18,20,22-24,26H2,1-3H3,(H,41,42)(H,43,44)