tert-butyl 2-[4-(1H-imidazol-5-ylmethyl)phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-(1H-imidazol-5-ylmethyl)phenyl]benzoate Openeye Name: tert-butyl 2-[4-(1H-imidazol-5-ylmethyl)phenyl]benzoate CAS Name: 2-[4-(1H-imidazol-5-ylmethyl)phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(1H-imidazol-5-ylmethyl)phenyl]benzoate Traditional Name: 2-[4-(1H-imidazol-5-ylmethyl)phenyl]benzoic acid tert-butyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CC3=CN=CN3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CC3=CN=CN3

InChI

InChI=1S/C21H22N2O2/c1-21(2,3)25-20(24)19-7-5-4-6-18(19)16-10-8-15(9-11-16)12-17-13-22-14-23-17/h4-11,13-14H,12H2,1-3H3,(H,22,23)