methyl 2-[4-[[4-(aminomethyl)-2-butyl-3-chloranyl-2H-imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[4-(aminomethyl)-2-butyl-3-chloranyl-2H-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[4-(aminomethyl)-2-butyl-3-chloro-2H-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-(aminomethyl)-2-butyl-3-chloro-2H-imidazol-1-yl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(aminomethyl)-2-butyl-3-chloro-2H-imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-(aminomethyl)-2-butyl-3-chloro-4-imidazolin-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C23H28ClN3O2 MolecularWeight: 413.94032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1Cl)CN)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC1N(C=C(N1Cl)CN)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H28ClN3O2/c1-3-4-9-22-26(16-19(14-25)27(22)24)15-17-10-12-18(13-11-17)20-7-5-6-8-21(20)23(28)29-2/h5-8,10-13,16,22H,3-4,9,14-15,25H2,1-2H3