ethane; (2-methyl-2-oxidanyl-propyl) 2-(5-cyano-2,3,4-trimethoxy-phenyl)-4,5-dihydro-1H-imidazole-5-carboxylate

Systemtic Name: ethane; (2-methyl-2-oxidanyl-propyl) 2-(5-cyano-2,3,4-trimethoxy-phenyl)-4,5-dihydro-1H-imidazole-5-carboxylate Openeye Name: ethane; (2-hydroxy-2-methyl-propyl) 2-(5-cyano-2,3,4-trimethoxy-phenyl)-4,5-dihydro-1H-imidazole-5-carboxylate CAS Name: 2-(5-cyano-2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid (2-hydroxy-2-methylpropyl) ester; ethane IUPAC Name: ethane; (2-hydroxy-2-methylpropyl) 2-(5-cyano-2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylate Traditional Name: 2-(5-cyano-2,3,4-trimethoxy-phenyl)-2-imidazoline-4-carboxylic acid (2-hydroxy-2-methyl-propyl) ester; ethane Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC(C)(COC(=O)C1CN=C(N1)C2=C(C(=C(C(=C2)C#N)OC)OC)OC)O

Isomeric SMILES

CC.CC(C)(COC(=O)C1CN=C(N1)C2=C(C(=C(C(=C2)C#N)OC)OC)OC)O

InChI

InChI=1S/C18H23N3O6.C2H6/c1-18(2,23)9-27-17(22)12-8-20-16(21-12)11-6-10(7-19)13(24-3)15(26-5)14(11)25-4;1-2/h6,12,23H,8-9H2,1-5H3,(H,20,21);1-2H3