tert-butyl 2-[4-[[4-(2-azanylethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[4-(2-azanylethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[4-(2-aminoethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-(2-aminoethyl)-2-propyl-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[4-(2-aminoethyl)-2-propylimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-(2-aminoethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)CCN

Isomeric SMILES

CCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)CCN

InChI

InChI=1S/C26H33N3O2/c1-5-8-24-28-21(15-16-27)18-29(24)17-19-11-13-20(14-12-19)22-9-6-7-10-23(22)25(30)31-26(2,3)4/h6-7,9-14,18H,5,8,15-17,27H2,1-4H3