methyl 4-[[2-imidazol-1-yl-1-(4-octylphenyl)ethoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-imidazol-1-yl-1-(4-octylphenyl)ethoxy]methyl]benzoate Openeye Name: methyl 4-[[2-imidazol-1-yl-1-(4-octylphenyl)ethoxy]methyl]benzoate CAS Name: 4-[[2-(1-imidazolyl)-1-(4-octylphenyl)ethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-imidazol-1-yl-1-(4-octylphenyl)ethoxy]methyl]benzoate Traditional Name: 4-[[2-imidazol-1-yl-1-(4-octylphenyl)ethoxy]methyl]benzoic acid methyl ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(CN2C=CN=C2)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(CN2C=CN=C2)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C28H36N2O3/c1-3-4-5-6-7-8-9-23-10-14-25(15-11-23)27(20-30-19-18-29-22-30)33-21-24-12-16-26(17-13-24)28(31)32-2/h10-19,22,27H,3-9,20-21H2,1-2H3