N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloranyl-phenyl]-2-[1,3-bis(oxidanylidene)pyrrolo[1,2-c]imidazol-2-yl]-4,4-dimethyl-3-oxidanylidene-pentanamide

Systemtic Name: N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloranyl-phenyl]-2-[1,3-bis(oxidanylidene)pyrrolo[1,2-c]imidazol-2-yl]-4,4-dimethyl-3-oxidanylidene-pentanamide Openeye Name: N-[5-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-2-chloro-phenyl]-2-(1,3-dioxopyrrolo[1,2-c]imidazol-2-yl)-4,4-dimethyl-3-oxo-pentanamide CAS Name: N-[5-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-2-(1,3-dioxo-2-pyrrolo[1,2-c]imidazolyl)-4,4-dimethyl-3-oxopentanamide IUPAC Name: N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-(1,3-dioxopyrrolo[1,2-c]imidazol-2-yl)-4,4-dimethyl-3-oxopentanamide Traditional Name: N-[2-chloro-5-[2-(2,4-ditert-amylphenoxy)butanoylamino]phenyl]-2-(1,3-diketopyrrol[1,2-c]imidazol-2-yl)-3-keto-4,4-dimethyl-valeramide Formula: C39H49ClN4O6 MolecularWeight: 705.28256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)N2C(=O)C3=CC=CN3C2=O)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)N2C(=O)C3=CC=CN3C2=O)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C39H49ClN4O6/c1-11-29(50-30-19-16-23(38(7,8)12-2)21-25(30)39(9,10)13-3)33(46)41-24-17-18-26(40)27(22-24)42-34(47)31(32(45)37(4,5)6)44-35(48)28-15-14-20-43(28)36(44)49/h14-22,29,31H,11-13H2,1-10H3,(H,41,46)(H,42,47)