[2-[1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl heptanoate

Systemtic Name: [2-[1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl heptanoate Openeye Name: [2-[1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl heptanoate CAS Name: heptanoic acid [2-[1-(2,3-dimethylphenyl)ethyl]-1-imidazolyl]methyl ester IUPAC Name: [2-[1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl heptanoate Traditional Name: enanthic acid [2-[1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ester Formula: C21H30N2O2 MolecularWeight: 342.4751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCN1C=CN=C1C(C)C2=CC=CC(=C2C)C

Isomeric SMILES

CCCCCCC(=O)OCN1C=CN=C1C(C)C2=CC=CC(=C2C)C

InChI

InChI=1S/C21H30N2O2/c1-5-6-7-8-12-20(24)25-15-23-14-13-22-21(23)18(4)19-11-9-10-16(2)17(19)3/h9-11,13-14,18H,5-8,12,15H2,1-4H3