2-[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl]oxycarbonyloxypropanoic acid

Systemtic Name: 2-[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl]oxycarbonyloxypropanoic acid Openeye Name: 2-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propoxy]carbonyloxypropanoic acid CAS Name: 2-[[4-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-1-cyclohexylbutan-2-yl]oxy-oxomethoxy]propanoic acid IUPAC Name: 2-[4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cyclohexylbutan-2-yl]oxycarbonyloxypropanoic acid Traditional Name: 2-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propoxy]carbonyloxypropionic acid Formula: C39H47NO7 MolecularWeight: 641.79298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC(=O)OC(CCC1=CC(=C(C=C1)C(C)(C)C)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)CC5CCCCC5

Isomeric SMILES

CC(C(=O)O)OC(=O)OC(CCC1=CC(=C(C=C1)C(C)(C)C)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)CC5CCCCC5

InChI

InChI=1S/C39H47NO7/c1-25(37(42)43)45-38(44)46-28(22-26-12-6-5-7-13-26)20-18-27-19-21-32(39(2,3)4)33(23-27)40-36(41)24-31-29-14-8-10-16-34(29)47-35-17-11-9-15-30(31)35/h8-11,14-17,19,21,23,25-26,28,31H,5-7,12-13,18,20,22,24H2,1-4H3,(H,40,41)(H,42,43)