6-[2-tert-butyl-5-cyclohexyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]hexyl benzoate

Systemtic Name: 6-[2-tert-butyl-5-cyclohexyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]hexyl benzoate Openeye Name: 6-[2-tert-butyl-5-cyclohexyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]hexyl benzoate CAS Name: benzoic acid 6-[2-tert-butyl-5-cyclohexyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]hexyl ester IUPAC Name: 6-[2-tert-butyl-5-cyclohexyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]hexyl benzoate Traditional Name: benzoic acid 6-[2-tert-butyl-5-cyclohexyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]hexyl ester Formula: C44H51NO4 MolecularWeight: 657.88004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)C5CCCCC5)CCCCCCOC(=O)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)C5CCCCC5)CCCCCCOC(=O)C6=CC=CC=C6

InChI

InChI=1S/C44H51NO4/c1-44(2,3)42-33(22-8-4-5-17-27-48-43(47)32-20-11-7-12-21-32)28-34(31-18-9-6-10-19-31)29-38(42)45-41(46)30-37-35-23-13-15-25-39(35)49-40-26-16-14-24-36(37)40/h7,11-16,20-21,23-26,28-29,31,37H,4-6,8-10,17-19,22,27,30H2,1-3H3,(H,45,46)