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

Systemtic Name: [4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl] 2-imidazol-1-ylethanoate Openeye Name: [3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propyl] 2-imidazol-1-ylacetate CAS Name: 2-(1-imidazolyl)acetic 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-imidazol-1-ylacetate Traditional Name: 2-imidazol-1-ylacetic acid [3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propyl] ester Formula: C40H47N3O4 MolecularWeight: 633.81888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CC2CCCCC2)OC(=O)CN3C=CN=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)CN3C=CN=C3)NC(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C40H47N3O4/c1-40(2,3)34-20-18-29(17-19-30(23-28-11-5-4-6-12-28)46-39(45)26-43-22-21-41-27-43)24-35(34)42-38(44)25-33-31-13-7-9-15-36(31)47-37-16-10-8-14-32(33)37/h7-10,13-16,18,20-22,24,27-28,30,33H,4-6,11-12,17,19,23,25-26H2,1-3H3,(H,42,44)