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

Systemtic Name: 4-[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclopentyl-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-(cyclopentylmethyl)propoxy]-4-oxo-butanoic acid CAS Name: 4-[4-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-1-cyclopentylbutan-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cyclopentylbutan-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclopentylmethyl)propoxy]-4-keto-butyric acid Formula: C38H45NO6 MolecularWeight: 611.767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CC2CCCC2)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(CC2CCCC2)OC(=O)CCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C38H45NO6/c1-38(2,3)31-19-17-26(16-18-27(22-25-10-4-5-11-25)44-37(43)21-20-36(41)42)23-32(31)39-35(40)24-30-28-12-6-8-14-33(28)45-34-15-9-7-13-29(30)34/h6-9,12-15,17,19,23,25,27,30H,4-5,10-11,16,18,20-22,24H2,1-3H3,(H,39,40)(H,41,42)