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

Systemtic Name: 2-[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl]oxycarbonylbenzoic acid Openeye Name: 2-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propoxy]carbonylbenzoic acid CAS Name: 2-[[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: 2-[4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cyclohexylbutan-2-yl]oxycarbonylbenzoic acid Traditional Name: 2-[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=CC=C3C(=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=CC=C3C(=O)O)NC(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46

InChI

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