[3-(1H-imidazol-5-ylmethyl)phenyl]methyl 4-chloranylbenzoate

Systemtic Name: [3-(1H-imidazol-5-ylmethyl)phenyl]methyl 4-chloranylbenzoate Openeye Name: [3-(1H-imidazol-5-ylmethyl)phenyl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-(1H-imidazol-5-ylmethyl)phenyl]methyl ester IUPAC Name: [3-(1H-imidazol-5-ylmethyl)phenyl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-(1H-imidazol-5-ylmethyl)benzyl] ester Formula: C18H15ClN2O2 MolecularWeight: 326.7769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CN3

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CN3

InChI

InChI=1S/C18H15ClN2O2/c19-16-6-4-15(5-7-16)18(22)23-11-14-3-1-2-13(8-14)9-17-10-20-12-21-17/h1-8,10,12H,9,11H2,(H,20,21)