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

Systemtic Name: 4-[1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-3-cyclohexyl-propoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-3-cyclohexyl-propoxy]-4-oxo-butanoic acid CAS Name: 4-[1-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-3-cyclohexylpropoxy]-4-oxobutanoic acid IUPAC Name: 4-[1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-3-cyclohexylpropoxy]-4-oxobutanoic acid Traditional Name: 4-[1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-3-cyclohexyl-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)C(CCC2CCCCC2)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)C(CCC2CCCCC2)OC(=O)CCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C38H45NO6/c1-38(2,3)30-19-18-26(32(45-37(43)22-21-36(41)42)20-17-25-11-5-4-6-12-25)23-31(30)39-35(40)24-29-27-13-7-9-15-33(27)44-34-16-10-8-14-28(29)34/h7-10,13-16,18-19,23,25,29,32H,4-6,11-12,17,20-22,24H2,1-3H3,(H,39,40)(H,41,42)