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

Systemtic Name: tert-butyl 2-[4-[(2-butyl-4-cyano-1H-imidazol-5-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(2-butyl-4-cyano-1H-imidazol-5-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(2-butyl-4-cyano-1H-imidazol-5-yl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(2-butyl-4-cyano-1H-imidazol-5-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butyl-4-cyano-1H-imidazol-5-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCCCC1=NC(=C(N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C26H29N3O2/c1-5-6-11-24-28-22(23(17-27)29-24)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(30)31-26(2,3)4/h7-10,12-15H,5-6,11,16H2,1-4H3,(H,28,29)