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

Systemtic Name: [1-(2,4-dimethylphenyl)-2-imidazol-1-yl-ethyl] octanoate Openeye Name: [1-(2,4-dimethylphenyl)-2-imidazol-1-yl-ethyl] octanoate CAS Name: octanoic acid [1-(2,4-dimethylphenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: [1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl] octanoate Traditional Name: caprylic acid [1-(2,4-dimethylphenyl)-2-imidazol-1-yl-ethyl] ester Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2/c1-4-5-6-7-8-9-21(24)25-20(15-23-13-12-22-16-23)19-11-10-17(2)14-18(19)3/h10-14,16,20H,4-9,15H2,1-3H3