ethyl 4-(2-imidazol-1-ylethyl)benzoate

Systemtic Name: ethyl 4-(2-imidazol-1-ylethyl)benzoate Openeye Name: ethyl 4-(2-imidazol-1-ylethyl)benzoate CAS Name: 4-[2-(1-imidazolyl)ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-imidazol-1-ylethyl)benzoate Traditional Name: 4-(2-imidazol-1-ylethyl)benzoic acid ethyl ester Formula: C14H16N2O2 MolecularWeight: 244.28904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCN2C=CN=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCN2C=CN=C2

InChI

InChI=1S/C14H16N2O2/c1-2-18-14(17)13-5-3-12(4-6-13)7-9-16-10-8-15-11-16/h3-6,8,10-11H,2,7,9H2,1H3