[4-[4-(4-dimethylaminophenyl)-5-methyl-1H-imidazol-2-yl]-2-methoxy-phenyl] octanoate

Systemtic Name: [4-[4-(4-dimethylaminophenyl)-5-methyl-1H-imidazol-2-yl]-2-methoxy-phenyl] octanoate Openeye Name: [4-[4-(4-dimethylaminophenyl)-5-methyl-1H-imidazol-2-yl]-2-methoxy-phenyl] octanoate CAS Name: octanoic acid [4-[4-(4-dimethylaminophenyl)-5-methyl-1H-imidazol-2-yl]-2-methoxyphenyl] ester IUPAC Name: [4-[4-(4-dimethylaminophenyl)-5-methyl-1H-imidazol-2-yl]-2-methoxyphenyl] octanoate Traditional Name: caprylic acid [4-[4-(4-dimethylaminophenyl)-5-methyl-1H-imidazol-2-yl]-2-methoxy-phenyl] ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C=C(C=C1)C2=NC(=C(N2)C)C3=CC=C(C=C3)N(C)C)OC

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C=C(C=C1)C2=NC(=C(N2)C)C3=CC=C(C=C3)N(C)C)OC

InChI

InChI=1S/C27H35N3O3/c1-6-7-8-9-10-11-25(31)33-23-17-14-21(18-24(23)32-5)27-28-19(2)26(29-27)20-12-15-22(16-13-20)30(3)4/h12-18H,6-11H2,1-5H3,(H,28,29)