ethyl 2-[3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-2H-imidazol-1-yl]hexanoate bromide

Systemtic Name: ethyl 2-[3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-2H-imidazol-1-yl]hexanoate bromide Openeye Name: ethyl 2-[3-[2-(3-methoxyphenyl)-2-oxo-ethyl]-2H-imidazol-1-yl]hexanoate bromide CAS Name: 2-[3-[2-(3-methoxyphenyl)-2-oxoethyl]-2H-imidazol-1-yl]hexanoic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-[2-(3-methoxyphenyl)-2-oxoethyl]-2H-imidazol-1-yl]hexanoate bromide Traditional Name: 2-[3-[2-keto-2-(3-methoxyphenyl)ethyl]-4-imidazolin-1-yl]hexanoic acid ethyl ester bromide Formula: C20H28BrN2O4- MolecularWeight: 440.35132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)N1CN(C=C1)CC(=O)C2=CC(=CC=C2)OC.[Br-]

Isomeric SMILES

CCCCC(C(=O)OCC)N1CN(C=C1)CC(=O)C2=CC(=CC=C2)OC.[Br-]

InChI

InChI=1S/C20H28N2O4.BrH/c1-4-6-10-18(20(24)26-5-2)22-12-11-21(15-22)14-19(23)16-8-7-9-17(13-16)25-3;/h7-9,11-13,18H,4-6,10,14-15H2,1-3H3;1H/p-1