tert-butyl 2-butyl-4-[(E)-1-ethoxy-1-oxidanylidene-hept-2-en-3-yl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-butyl-4-[(E)-1-ethoxy-1-oxidanylidene-hept-2-en-3-yl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-butyl-4-[(1E)-1-(2-ethoxy-2-oxo-ethylidene)pentyl]imidazole-1-carboxylate CAS Name: 2-butyl-4-[(E)-1-ethoxy-1-oxohept-2-en-3-yl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-butyl-4-[(E)-1-ethoxy-1-oxohept-2-en-3-yl]imidazole-1-carboxylate Traditional Name: 2-butyl-4-[(E)-1-butyl-3-ethoxy-3-keto-prop-1-enyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C21H34N2O4 MolecularWeight: 378.50566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1C(=O)OC(C)(C)C)C(=CC(=O)OCC)CCCC

Isomeric SMILES

CCCCC1=NC(=CN1C(=O)OC(C)(C)C)/C(=C/C(=O)OCC)/CCCC

InChI

InChI=1S/C21H34N2O4/c1-7-10-12-16(14-19(24)26-9-3)17-15-23(18(22-17)13-11-8-2)20(25)27-21(4,5)6/h14-15H,7-13H2,1-6H3/b16-14+