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

Systemtic Name: tert-butyl 2-[4-[[4-(2-azanylethyl)-2-ethyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[4-(2-aminoethyl)-2-ethyl-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-(2-aminoethyl)-2-ethyl-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[4-(2-aminoethyl)-2-ethylimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-(2-aminoethyl)-2-ethyl-imidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)CCN

Isomeric SMILES

CCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)CCN

InChI

InChI=1S/C25H31N3O2/c1-5-23-27-20(14-15-26)17-28(23)16-18-10-12-19(13-11-18)21-8-6-7-9-22(21)24(29)30-25(2,3)4/h6-13,17H,5,14-16,26H2,1-4H3