tert-butyl 2-[4-[[2-butyl-5-cyano-4-(phenylcarbonyl)imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[2-butyl-5-cyano-4-(phenylcarbonyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(4-benzoyl-2-butyl-5-cyano-imidazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(4-benzoyl-2-butyl-5-cyano-1-imidazolyl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-benzoyl-2-butyl-5-cyanoimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(4-benzoyl-2-butyl-5-cyano-imidazol-1-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C33H33N3O3 MolecularWeight: 519.63342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C#N)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C#N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H33N3O3/c1-5-6-16-29-35-30(31(37)25-12-8-7-9-13-25)28(21-34)36(29)22-23-17-19-24(20-18-23)26-14-10-11-15-27(26)32(38)39-33(2,3)4/h7-15,17-20H,5-6,16,22H2,1-4H3