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

Systemtic Name: butyl 2-[4-[(2-butyl-5-cyano-4-ethanoyl-imidazol-1-yl)methyl]phenyl]benzoate Openeye Name: 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 butyl ester IUPAC Name: 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 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)OCCCC)C#N)C(=O)C

Isomeric SMILES

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

InChI

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