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

Systemtic Name: 4-[2-tert-butyl-5-(4-cyclohexylbutyl)-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenoxy]carbonyloxybenzoic acid Openeye Name: 4-[2-tert-butyl-5-(4-cyclohexylbutyl)-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenoxy]carbonyloxybenzoic acid CAS Name: 4-[[2-tert-butyl-5-(4-cyclohexylbutyl)-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenoxy]-oxomethoxy]benzoic acid IUPAC Name: 4-[2-tert-butyl-5-(4-cyclohexylbutyl)-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenoxy]carbonyloxybenzoic acid Traditional Name: 4-[2-tert-butyl-5-(4-cyclohexylbutyl)-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenoxy]carbonyloxybenzoic acid Formula: C43H47NO7 MolecularWeight: 689.83578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1OC(=O)OC2=CC=C(C=C2)C(=O)O)CCCCC3CCCCC3)NC(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1OC(=O)OC2=CC=C(C=C2)C(=O)O)CCCCC3CCCCC3)NC(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C43H47NO7/c1-43(2,3)40-35(44-39(45)27-34-32-17-9-11-19-36(32)50-37-20-12-10-18-33(34)37)25-29(16-8-7-15-28-13-5-4-6-14-28)26-38(40)51-42(48)49-31-23-21-30(22-24-31)41(46)47/h9-12,17-26,28,34H,4-8,13-16,27H2,1-3H3,(H,44,45)(H,46,47)