tert-butyl 2-[4-[(5-butylimidazol-1-yl)methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[(5-butylimidazol-1-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(5-butylimidazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(5-butyl-1-imidazolyl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-butylimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(5-butylimidazol-1-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CN=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C

InChI

InChI=1S/C25H30N2O2/c1-5-6-9-21-16-26-18-27(21)17-19-12-14-20(15-13-19)22-10-7-8-11-23(22)24(28)29-25(2,3)4/h7-8,10-16,18H,5-6,9,17H2,1-4H3