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

Systemtic Name: 4-[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyloxy-butan-2-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexoxymethyl)propoxy]-4-oxo-butanoic acid CAS Name: 4-[4-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-1-cyclohexyloxybutan-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cyclohexyloxybutan-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexoxymethyl)propoxy]-4-keto-butyric acid Formula: C39H47NO7 MolecularWeight: 641.79298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(COC2CCCCC2)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(COC2CCCCC2)OC(=O)CCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C39H47NO7/c1-39(2,3)32-20-18-26(17-19-28(46-38(44)22-21-37(42)43)25-45-27-11-5-4-6-12-27)23-33(32)40-36(41)24-31-29-13-7-9-15-34(29)47-35-16-10-8-14-30(31)35/h7-10,13-16,18,20,23,27-28,31H,4-6,11-12,17,19,21-22,24-25H2,1-3H3,(H,40,41)(H,42,43)