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

Systemtic Name: [1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-4-cyclohexyl-3-imidazol-1-yl-butan-2-yl] ethanoate Openeye Name: [1-[[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]methyl]-3-cyclohexyl-2-imidazol-1-yl-propyl] acetate CAS Name: acetic acid [1-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-4-cyclohexyl-3-(1-imidazolyl)butan-2-yl] ester IUPAC Name: [1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-4-cyclohexyl-3-imidazol-1-ylbutan-2-yl] acetate Traditional Name: acetic acid [1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]benzyl]-3-cyclohexyl-2-imidazol-1-yl-propyl] ester Formula: C40H47N3O4 MolecularWeight: 633.81888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC1=CC(=C(C=C1)C(C)(C)C)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)C(CC5CCCCC5)N6C=CN=C6

Isomeric SMILES

CC(=O)OC(CC1=CC(=C(C=C1)C(C)(C)C)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)C(CC5CCCCC5)N6C=CN=C6

InChI

InChI=1S/C40H47N3O4/c1-27(44)46-38(35(43-21-20-41-26-43)23-28-12-6-5-7-13-28)24-29-18-19-33(40(2,3)4)34(22-29)42-39(45)25-32-30-14-8-10-16-36(30)47-37-17-11-9-15-31(32)37/h8-11,14-22,26,28,32,35,38H,5-7,12-13,23-25H2,1-4H3,(H,42,45)