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

Systemtic Name: tert-butyl 2-[4-[(2-butyl-5-cyano-4-propanoyl-imidazol-1-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(2-butyl-5-cyano-4-propanoyl-imidazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-5-cyano-4-(1-oxopropyl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(2-butyl-5-cyano-4-propanoylimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butyl-5-cyano-4-propionyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O3/c1-6-8-13-26-31-27(25(33)7-2)24(18-30)32(26)19-20-14-16-21(17-15-20)22-11-9-10-12-23(22)28(34)35-29(3,4)5/h9-12,14-17H,6-8,13,19H2,1-5H3