[1-(2,4-dimethylphenyl)-2-imidazol-1-yl-ethyl] pentanoate

Systemtic Name: [1-(2,4-dimethylphenyl)-2-imidazol-1-yl-ethyl] pentanoate Openeye Name: [1-(2,4-dimethylphenyl)-2-imidazol-1-yl-ethyl] pentanoate CAS Name: pentanoic acid [1-(2,4-dimethylphenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: [1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl] pentanoate Traditional Name: valeric acid [1-(2,4-dimethylphenyl)-2-imidazol-1-yl-ethyl] ester Formula: C18H24N2O2 MolecularWeight: 300.39536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(CN1C=CN=C1)C2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCCC(=O)OC(CN1C=CN=C1)C2=C(C=C(C=C2)C)C

InChI

InChI=1S/C18H24N2O2/c1-4-5-6-18(21)22-17(12-20-10-9-19-13-20)16-8-7-14(2)11-15(16)3/h7-11,13,17H,4-6,12H2,1-3H3