2-[3-acetyloxy-4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl]oxyethanoic acid

Systemtic Name: 2-[3-acetyloxy-4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl]oxyethanoic acid Openeye Name: 2-[2-acetoxy-3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propoxy]acetic acid CAS Name: 2-[3-acetyloxy-4-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-1-cyclohexylbutan-2-yl]oxyacetic acid IUPAC Name: 2-[3-acetyloxy-4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cyclohexylbutan-2-yl]oxyacetic acid Traditional Name: 2-[2-acetoxy-3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propoxy]acetic acid Formula: C39H47NO7 MolecularWeight: 641.79298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC1=CC(=C(C=C1)C(C)(C)C)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)C(CC5CCCCC5)OCC(=O)O

Isomeric SMILES

CC(=O)OC(CC1=CC(=C(C=C1)C(C)(C)C)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)C(CC5CCCCC5)OCC(=O)O

InChI

InChI=1S/C39H47NO7/c1-25(41)46-36(35(45-24-38(43)44)21-26-12-6-5-7-13-26)22-27-18-19-31(39(2,3)4)32(20-27)40-37(42)23-30-28-14-8-10-16-33(28)47-34-17-11-9-15-29(30)34/h8-11,14-20,26,30,35-36H,5-7,12-13,21-24H2,1-4H3,(H,40,42)(H,43,44)