3-[2-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]ethoxycarbonyl]-8-cyclohexyl-octanoic acid

Systemtic Name: 3-[2-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]ethoxycarbonyl]-8-cyclohexyl-octanoic acid Openeye Name: 3-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethoxycarbonyl]-8-cyclohexyl-octanoic acid CAS Name: 3-[2-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]ethoxy-oxomethyl]-8-cyclohexyloctanoic acid IUPAC Name: 3-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethoxycarbonyl]-8-cyclohexyloctanoic acid Traditional Name: 3-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethoxycarbonyl]-8-cyclohexyl-caprylic acid Formula: C42H53NO6 MolecularWeight: 667.87332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCOC(=O)C(CCCCCC2CCCCC2)CC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCOC(=O)C(CCCCCC2CCCCC2)CC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C42H53NO6/c1-42(2,3)35-23-22-30(24-25-48-41(47)31(27-40(45)46)17-9-5-8-16-29-14-6-4-7-15-29)26-36(35)43-39(44)28-34-32-18-10-12-20-37(32)49-38-21-13-11-19-33(34)38/h10-13,18-23,26,29,31,34H,4-9,14-17,24-25,27-28H2,1-3H3,(H,43,44)(H,45,46)