[1-ethoxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-1,3-bis(oxidanylidene)hexan-2-yl] benzoate

Systemtic Name: [1-ethoxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-1,3-bis(oxidanylidene)hexan-2-yl] benzoate Openeye Name: [1-ethoxycarbonyl-1-(1H-imidazol-5-ylmethyl)-4-methyl-2-oxo-pentyl] benzoate CAS Name: benzoic acid [1-ethoxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-1,3-dioxohexan-2-yl] ester IUPAC Name: [1-ethoxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-1,3-dioxohexan-2-yl] benzoate Traditional Name: benzoic acid [1-carbethoxy-1-(1H-imidazol-5-ylmethyl)-2-keto-4-methyl-pentyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=CN1)(C(=O)CC(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CC1=CN=CN1)(C(=O)CC(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H24N2O5/c1-4-26-19(25)20(17(23)10-14(2)3,11-16-12-21-13-22-16)27-18(24)15-8-6-5-7-9-15/h5-9,12-14H,4,10-11H2,1-3H3,(H,21,22)