5-[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl]oxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl]oxy-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propoxy]-5-oxo-pentanoic acid CAS Name: 5-[4-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-1-cyclohexylbutan-2-yl]oxy-5-oxopentanoic acid IUPAC Name: 5-[4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cyclohexylbutan-2-yl]oxy-5-oxopentanoic acid Traditional Name: 5-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propoxy]-5-keto-valeric acid Formula: C40H49NO6 MolecularWeight: 639.82016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CC2CCCCC2)OC(=O)CCCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCC(CC2CCCCC2)OC(=O)CCCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

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