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

Systemtic Name: [4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl] 2-methylbenzoate Openeye Name: [3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propyl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propyl] ester Formula: C43H49NO4 MolecularWeight: 643.85346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC(CCC2=CC(=C(C=C2)C(C)(C)C)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35)CC6CCCCC6

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC(CCC2=CC(=C(C=C2)C(C)(C)C)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35)CC6CCCCC6

InChI

InChI=1S/C43H49NO4/c1-29-14-8-9-17-33(29)42(46)47-32(26-30-15-6-5-7-16-30)24-22-31-23-25-37(43(2,3)4)38(27-31)44-41(45)28-36-34-18-10-12-20-39(34)48-40-21-13-11-19-35(36)40/h8-14,17-21,23,25,27,30,32,36H,5-7,15-16,22,24,26,28H2,1-4H3,(H,44,45)