tert-butyl 2-[4-[[5-(aminomethyl)-2-butyl-4-chloranyl-imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[5-(aminomethyl)-2-butyl-4-chloranyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[5-(aminomethyl)-2-butyl-4-chloro-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[5-(aminomethyl)-2-butyl-4-chloro-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[5-(aminomethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[5-(aminomethyl)-2-butyl-4-chloro-imidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C26H32ClN3O2 MolecularWeight: 454.00418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)CN)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)CN)Cl

InChI

InChI=1S/C26H32ClN3O2/c1-5-6-11-23-29-24(27)22(16-28)30(23)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(31)32-26(2,3)4/h7-10,12-15H,5-6,11,16-17,28H2,1-4H3