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

Systemtic Name: tert-butyl 2-[4-[(5-butanoyl-2-butyl-4-cyano-imidazol-1-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(5-butanoyl-2-butyl-4-cyano-imidazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-4-cyano-5-(1-oxobutyl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-butanoyl-2-butyl-4-cyanoimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butyl-5-butyryl-4-cyano-imidazol-1-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C30H35N3O3 MolecularWeight: 485.6172

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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(=O)CCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O3/c1-6-8-14-27-32-25(19-31)28(26(34)11-7-2)33(27)20-21-15-17-22(18-16-21)23-12-9-10-13-24(23)29(35)36-30(3,4)5/h9-10,12-13,15-18H,6-8,11,14,20H2,1-5H3