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

Systemtic Name: tert-butyl 2-[4-[(2-butyl-5-cyano-4-ethanoyl-imidazol-1-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(4-acetyl-2-butyl-5-cyano-imidazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(4-acetyl-2-butyl-5-cyano-1-imidazolyl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-acetyl-2-butyl-5-cyanoimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(4-acetyl-2-butyl-5-cyano-imidazol-1-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O3/c1-6-7-12-25-30-26(19(2)32)24(17-29)31(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)27(33)34-28(3,4)5/h8-11,13-16H,6-7,12,18H2,1-5H3