diethyl 2-[2-(2,2-dimethylpropyl)-3-methyl-imidazol-4-yl]-2-phenyl-propanedioate

Systemtic Name: diethyl 2-[2-(2,2-dimethylpropyl)-3-methyl-imidazol-4-yl]-2-phenyl-propanedioate Openeye Name: diethyl 2-[2-(2,2-dimethylpropyl)-3-methyl-imidazol-4-yl]-2-phenyl-propanedioate CAS Name: 2-[2-(2,2-dimethylpropyl)-3-methyl-4-imidazolyl]-2-phenylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(2,2-dimethylpropyl)-3-methylimidazol-4-yl]-2-phenylpropanedioate Traditional Name: 2-(3-methyl-2-neopentyl-imidazol-4-yl)-2-phenyl-malonic acid diethyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)(C2=CN=C(N2C)CC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)(C2=CN=C(N2C)CC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C22H30N2O4/c1-7-27-19(25)22(20(26)28-8-2,16-12-10-9-11-13-16)17-15-23-18(24(17)6)14-21(3,4)5/h9-13,15H,7-8,14H2,1-6H3