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

Systemtic Name: tert-butyl 5-[(2-butyl-4-cyano-1H-imidazol-5-yl)methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[(2-butyl-4-cyano-1H-imidazol-5-yl)methyl]-2-phenyl-benzoate CAS Name: 5-[(2-butyl-4-cyano-1H-imidazol-5-yl)methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(2-butyl-4-cyano-1H-imidazol-5-yl)methyl]-2-phenylbenzoate Traditional Name: 5-[(2-butyl-4-cyano-1H-imidazol-5-yl)methyl]-2-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=C3)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

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

InChI

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