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

Systemtic Name: 4-[2-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]ethoxycarbonyl]-6-cyclohexyl-hexanoic acid Openeye Name: 4-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethoxycarbonyl]-6-cyclohexyl-hexanoic acid CAS Name: 4-[2-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]ethoxy-oxomethyl]-6-cyclohexylhexanoic acid IUPAC Name: 4-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethoxycarbonyl]-6-cyclohexylhexanoic acid Traditional Name: 4-[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(CCC2CCCCC2)CCC(=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(CCC2CCCCC2)CCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

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