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

Systemtic Name: tert-butyl 2-[4-[(5-butanoyl-4-cyano-2-propyl-imidazol-1-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(5-butanoyl-4-cyano-2-propyl-imidazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[[4-cyano-5-(1-oxobutyl)-2-propyl-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-butanoyl-4-cyano-2-propylimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(5-butyryl-4-cyano-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)CCC)C#N

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)CCC)C#N

InChI

InChI=1S/C29H33N3O3/c1-6-10-25(33)27-24(18-30)31-26(11-7-2)32(27)19-20-14-16-21(17-15-20)22-12-8-9-13-23(22)28(34)35-29(3,4)5/h8-9,12-17H,6-7,10-11,19H2,1-5H3