[1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-6-cyclohexyl-hexan-3-yl] benzoate

Systemtic Name: [1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-6-cyclohexyl-hexan-3-yl] benzoate Openeye Name: [1-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]-4-cyclohexyl-butyl] benzoate CAS Name: benzoic acid [1-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-6-cyclohexylhexan-3-yl] ester IUPAC Name: [1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-6-cyclohexylhexan-3-yl] benzoate Traditional Name: benzoic acid [1-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]-4-cyclohexyl-butyl] ester Formula: C44H51NO4 MolecularWeight: 657.88004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CCCC2CCCCC2)OC(=O)C3=CC=CC=C3)NC(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCC(CCCC2CCCCC2)OC(=O)C3=CC=CC=C3)NC(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C44H51NO4/c1-44(2,3)38-28-26-32(25-27-34(20-14-17-31-15-6-4-7-16-31)48-43(47)33-18-8-5-9-19-33)29-39(38)45-42(46)30-37-35-21-10-12-23-40(35)49-41-24-13-11-22-36(37)41/h5,8-13,18-19,21-24,26,28-29,31,34,37H,4,6-7,14-17,20,25,27,30H2,1-3H3,(H,45,46)