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

Systemtic Name: methyl 2-[4-[[5-(aminomethyl)-2-butyl-4-chloranyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H26ClN3O2 MolecularWeight: 411.92444

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)CN)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O2/c1-3-4-9-21-26-22(24)20(14-25)27(21)15-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23(28)29-2/h5-8,10-13H,3-4,9,14-15,25H2,1-2H3