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

Systemtic Name: tert-butyl 2-butyl-4-[(E)-4-ethoxy-4-oxidanylidene-3-(phenylmethyl)but-2-en-2-yl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[(E)-2-benzyl-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]-2-butyl-imidazole-1-carboxylate CAS Name: 2-butyl-4-[(E)-4-ethoxy-4-oxo-3-(phenylmethyl)but-2-en-2-yl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-benzyl-4-ethoxy-4-oxobut-2-en-2-yl]-2-butylimidazole-1-carboxylate Traditional Name: 4-[(E)-2-benzyl-3-ethoxy-3-keto-1-methyl-prop-1-enyl]-2-butyl-imidazole-1-carboxylic acid tert-butyl ester Formula: C25H34N2O4 MolecularWeight: 426.54846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1C(=O)OC(C)(C)C)C(=C(CC2=CC=CC=C2)C(=O)OCC)C

Isomeric SMILES

CCCCC1=NC(=CN1C(=O)OC(C)(C)C)/C(=C(\CC2=CC=CC=C2)/C(=O)OCC)/C

InChI

InChI=1S/C25H34N2O4/c1-7-9-15-22-26-21(17-27(22)24(29)31-25(4,5)6)18(3)20(23(28)30-8-2)16-19-13-11-10-12-14-19/h10-14,17H,7-9,15-16H2,1-6H3/b20-18+