4-[6-cyclohexyl-1-[3-propan-2-yl-2-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]hexan-3-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[6-cyclohexyl-1-[3-propan-2-yl-2-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]hexan-3-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-cyclohexyl-1-[2-[3-isopropyl-2-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]butoxy]-4-oxo-butanoic acid CAS Name: 4-[6-cyclohexyl-1-[2-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]-3-propan-2-ylphenyl]hexan-3-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[6-cyclohexyl-1-[3-propan-2-yl-2-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]hexan-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[4-cyclohexyl-1-[2-[3-isopropyl-2-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]butoxy]-4-keto-butyric acid Formula: C40H49NO6 MolecularWeight: 639.82016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)CCC(CCCC5CCCCC5)OC(=O)CCC(=O)O

Isomeric SMILES

CC(C)C1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)CCC(CCCC5CCCCC5)OC(=O)CCC(=O)O

InChI

InChI=1S/C40H49NO6/c1-27(2)31-19-11-15-29(22-23-30(46-39(45)25-24-38(43)44)16-10-14-28-12-4-3-5-13-28)40(31)41-37(42)26-34-32-17-6-8-20-35(32)47-36-21-9-7-18-33(34)36/h6-9,11,15,17-21,27-28,30,34H,3-5,10,12-14,16,22-26H2,1-2H3,(H,41,42)(H,43,44)