diethyl 2-acetamido-2-[(2-chloranyl-5-methyl-3-phenylmethoxy-imidazol-4-yl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(2-chloranyl-5-methyl-3-phenylmethoxy-imidazol-4-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(3-benzyloxy-2-chloro-5-methyl-imidazol-4-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(2-chloro-5-methyl-3-phenylmethoxy-4-imidazolyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(3-benzoxy-2-chloro-5-methyl-imidazol-4-yl)methyl]malonic acid diethyl ester Formula: C21H26ClN3O6 MolecularWeight: 451.90064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(N=C(N1OCC2=CC=CC=C2)Cl)C)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(N=C(N1OCC2=CC=CC=C2)Cl)C)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H26ClN3O6/c1-5-29-18(27)21(24-15(4)26,19(28)30-6-2)12-17-14(3)23-20(22)25(17)31-13-16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3,(H,24,26)