2-[4-tert-butyl-2-(3-cyclohexylbutyl)-5-[2-(9H-xanthen-9-yl)ethanoylamino]phenoxy]carbonyloxypropanoic acid

Systemtic Name: 2-[4-tert-butyl-2-(3-cyclohexylbutyl)-5-[2-(9H-xanthen-9-yl)ethanoylamino]phenoxy]carbonyloxypropanoic acid Openeye Name: 2-[4-tert-butyl-2-(3-cyclohexylbutyl)-5-[[2-(9H-xanthen-9-yl)acetyl]amino]phenoxy]carbonyloxypropanoic acid CAS Name: 2-[[4-tert-butyl-2-(3-cyclohexylbutyl)-5-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenoxy]-oxomethoxy]propanoic acid IUPAC Name: 2-[4-tert-butyl-2-(3-cyclohexylbutyl)-5-[[2-(9H-xanthen-9-yl)acetyl]amino]phenoxy]carbonyloxypropanoic acid Traditional Name: 2-[4-tert-butyl-2-(3-cyclohexylbutyl)-5-[[2-(9H-xanthen-9-yl)acetyl]amino]phenoxy]carbonyloxypropionic acid Formula: C39H47NO7 MolecularWeight: 641.79298

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=C(C(=C1)C(C)(C)C)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)OC(=O)OC(C)C(=O)O)C5CCCCC5

Isomeric SMILES

CC(CCC1=C(C=C(C(=C1)C(C)(C)C)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)OC(=O)OC(C)C(=O)O)C5CCCCC5

InChI

InChI=1S/C39H47NO7/c1-24(26-13-7-6-8-14-26)19-20-27-21-31(39(3,4)5)32(23-35(27)47-38(44)45-25(2)37(42)43)40-36(41)22-30-28-15-9-11-17-33(28)46-34-18-12-10-16-29(30)34/h9-12,15-18,21,23-26,30H,6-8,13-14,19-20,22H2,1-5H3,(H,40,41)(H,42,43)