2-[2-acetyloxy-1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-7-cyclohexyl-heptan-3-yl]oxyethanoic acid

Systemtic Name: 2-[2-acetyloxy-1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-7-cyclohexyl-heptan-3-yl]oxyethanoic acid Openeye Name: 2-[1-[1-acetoxy-2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]-5-cyclohexyl-pentoxy]acetic acid CAS Name: 2-[2-acetyloxy-1-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-7-cyclohexylheptan-3-yl]oxyacetic acid IUPAC Name: 2-[2-acetyloxy-1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-7-cyclohexylheptan-3-yl]oxyacetic acid Traditional Name: 2-[1-[1-acetoxy-2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]-5-cyclohexyl-pentoxy]acetic acid Formula: C42H53NO7 MolecularWeight: 683.87272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC1=CC(=C(C=C1)C(C)(C)C)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)C(CCCCC5CCCCC5)OCC(=O)O

Isomeric SMILES

CC(=O)OC(CC1=CC(=C(C=C1)C(C)(C)C)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)C(CCCCC5CCCCC5)OCC(=O)O

InChI

InChI=1S/C42H53NO7/c1-28(44)49-39(38(48-27-41(46)47)21-11-8-16-29-14-6-5-7-15-29)25-30-22-23-34(42(2,3)4)35(24-30)43-40(45)26-33-31-17-9-12-19-36(31)50-37-20-13-10-18-32(33)37/h9-10,12-13,17-20,22-24,29,33,38-39H,5-8,11,14-16,21,25-27H2,1-4H3,(H,43,45)(H,46,47)