3-[2-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]ethoxycarbonyl]-6-cyclohexyl-hexanoic acid

Systemtic Name: 3-[2-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]ethoxycarbonyl]-6-cyclohexyl-hexanoic acid Openeye Name: 3-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethoxycarbonyl]-6-cyclohexyl-hexanoic acid CAS Name: 3-[2-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]ethoxy-oxomethyl]-6-cyclohexylhexanoic acid IUPAC Name: 3-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethoxycarbonyl]-6-cyclohexylhexanoic acid Traditional Name: 3-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethoxycarbonyl]-6-cyclohexyl-hexanoic acid Formula: C40H49NO6 MolecularWeight: 639.82016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCOC(=O)C(CCCC2CCCCC2)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(CCCC2CCCCC2)CC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C40H49NO6/c1-40(2,3)33-21-20-28(22-23-46-39(45)29(25-38(43)44)15-11-14-27-12-5-4-6-13-27)24-34(33)41-37(42)26-32-30-16-7-9-18-35(30)47-36-19-10-8-17-31(32)36/h7-10,16-21,24,27,29,32H,4-6,11-15,22-23,25-26H2,1-3H3,(H,41,42)(H,43,44)