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

Systemtic Name: 4-[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl]oxycarbonylbenzoic acid Openeye Name: 4-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propoxy]carbonylbenzoic acid CAS Name: 4-[[4-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-1-cyclohexylbutan-2-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 4-[4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cyclohexylbutan-2-yl]oxycarbonylbenzoic acid Traditional Name: 4-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propoxy]carbonylbenzoic acid Formula: C43H47NO6 MolecularWeight: 673.83638

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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=C(C=C3)C(=O)O)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=C(C=C3)C(=O)O)NC(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C43H47NO6/c1-43(2,3)36-24-18-29(17-23-32(25-28-11-5-4-6-12-28)49-42(48)31-21-19-30(20-22-31)41(46)47)26-37(36)44-40(45)27-35-33-13-7-9-15-38(33)50-39-16-10-8-14-34(35)39/h7-10,13-16,18-22,24,26,28,32,35H,4-6,11-12,17,23,25,27H2,1-3H3,(H,44,45)(H,46,47)