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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-4-cyano-5-(2-methylpropanoyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-4-cyano-5-(2-methylpropanoyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-4-cyano-5-(2-methyl-1-oxopropyl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-4-cyano-5-(2-methylpropanoyl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butyl-4-cyano-5-isobutyryl-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)C(C)C)C#N

Isomeric SMILES

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

InChI

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