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

Systemtic Name: 4-[1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-7-cyclohexyl-heptan-3-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]-5-cyclohexyl-pentoxy]-4-oxo-butanoic acid CAS Name: 4-[1-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-7-cyclohexylheptan-3-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-7-cyclohexylheptan-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[1-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]-5-cyclohexyl-pentoxy]-4-keto-butyric acid Formula: C42H53NO6 MolecularWeight: 667.87332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CCCCC2CCCCC2)OC(=O)CCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCC(CCCCC2CCCCC2)OC(=O)CCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C42H53NO6/c1-42(2,3)35-24-22-30(21-23-31(48-41(47)26-25-40(45)46)16-8-7-15-29-13-5-4-6-14-29)27-36(35)43-39(44)28-34-32-17-9-11-19-37(32)49-38-20-12-10-18-33(34)38/h9-12,17-20,22,24,27,29,31,34H,4-8,13-16,21,23,25-26,28H2,1-3H3,(H,43,44)(H,45,46)