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

Systemtic Name: [4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl] benzoate Openeye Name: [3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propyl] benzoate CAS Name: benzoic acid [4-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-1-cyclohexylbutan-2-yl] ester IUPAC Name: [4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cyclohexylbutan-2-yl] benzoate Traditional Name: benzoic acid [3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propyl] ester Formula: C42H47NO4 MolecularWeight: 629.82688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CC2CCCCC2)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(CC2CCCCC2)OC(=O)C3=CC=CC=C3)NC(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C42H47NO4/c1-42(2,3)36-25-23-30(22-24-32(26-29-14-6-4-7-15-29)46-41(45)31-16-8-5-9-17-31)27-37(36)43-40(44)28-35-33-18-10-12-20-38(33)47-39-21-13-11-19-34(35)39/h5,8-13,16-21,23,25,27,29,32,35H,4,6-7,14-15,22,24,26,28H2,1-3H3,(H,43,44)