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

Systemtic Name: 2-[1-acetyloxy-1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-3-cyclohexyl-propan-2-yl]oxyethanoic acid Openeye Name: 2-[2-acetoxy-2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)ethoxy]acetic acid CAS Name: 2-[1-acetyloxy-1-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-3-cyclohexylpropan-2-yl]oxyacetic acid IUPAC Name: 2-[1-acetyloxy-1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-3-cyclohexylpropan-2-yl]oxyacetic acid Traditional Name: 2-[2-acetoxy-2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)ethoxy]acetic acid Formula: C38H45NO7 MolecularWeight: 627.7664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=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(C1=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/C38H45NO7/c1-24(40)45-37(34(44-23-36(42)43)20-25-12-6-5-7-13-25)26-18-19-30(38(2,3)4)31(21-26)39-35(41)22-29-27-14-8-10-16-32(27)46-33-17-11-9-15-28(29)33/h8-11,14-19,21,25,29,34,37H,5-7,12-13,20,22-23H2,1-4H3,(H,39,41)(H,42,43)