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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2/c1-6-23-27-22(17(2)26)16-28(23)15-18-11-13-19(14-12-18)20-9-7-8-10-21(20)24(29)30-25(3,4)5/h7-14,16-17H,6,15,26H2,1-5H3