3-phenylprop-2-ynyl (E)-4-methyl-3-[4-methyl-4-(2-methylpropyl)-5-oxidanylidene-1H-imidazol-2-yl]-2-(2-methylpropyl)hex-2-enoate

Systemtic Name: 3-phenylprop-2-ynyl (E)-4-methyl-3-[4-methyl-4-(2-methylpropyl)-5-oxidanylidene-1H-imidazol-2-yl]-2-(2-methylpropyl)hex-2-enoate Openeye Name: 3-phenylprop-2-ynyl (E)-2-isobutyl-3-(4-isobutyl-4-methyl-5-oxo-1H-imidazol-2-yl)-4-methyl-hex-2-enoate CAS Name: (E)-4-methyl-3-[4-methyl-4-(2-methylpropyl)-5-oxo-1H-imidazol-2-yl]-2-(2-methylpropyl)-2-hexenoic acid 3-phenylprop-2-ynyl ester IUPAC Name: 3-phenylprop-2-ynyl (E)-4-methyl-3-[4-methyl-4-(2-methylpropyl)-5-oxo-1H-imidazol-2-yl]-2-(2-methylpropyl)hex-2-enoate Traditional Name: (E)-2-isobutyl-3-(4-isobutyl-5-keto-4-methyl-2-imidazolin-2-yl)-4-methyl-hex-2-enoic acid 3-phenylprop-2-ynyl ester Formula: C28H38N2O3 MolecularWeight: 450.61292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=C(CC(C)C)C(=O)OCC#CC1=CC=CC=C1)C2=NC(C(=O)N2)(C)CC(C)C

Isomeric SMILES

CCC(C)/C(=C(/CC(C)C)\C(=O)OCC#CC1=CC=CC=C1)/C2=NC(C(=O)N2)(C)CC(C)C

InChI

InChI=1S/C28H38N2O3/c1-8-21(6)24(25-29-27(32)28(7,30-25)18-20(4)5)23(17-19(2)3)26(31)33-16-12-15-22-13-10-9-11-14-22/h9-11,13-14,19-21H,8,16-18H2,1-7H3,(H,29,30,32)/b24-23+