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

Systemtic Name: methyl 2-[4-[[5-(aminomethyl)-2-butyl-4-chloranyl-imidazol-1-yl]methyl]phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-[[5-(aminomethyl)-2-butyl-4-chloro-imidazol-1-yl]methyl]benzoyl]benzoate CAS Name: 2-[[4-[[5-(aminomethyl)-2-butyl-4-chloro-1-imidazolyl]methyl]phenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[5-(aminomethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]benzoyl]benzoate Traditional Name: 2-[4-[[5-(aminomethyl)-2-butyl-4-chloro-imidazol-1-yl]methyl]benzoyl]benzoic acid methyl ester Formula: C24H26ClN3O3 MolecularWeight: 439.93454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O3/c1-3-4-9-21-27-23(25)20(14-26)28(21)15-16-10-12-17(13-11-16)22(29)18-7-5-6-8-19(18)24(30)31-2/h5-8,10-13H,3-4,9,14-15,26H2,1-2H3