heptyl 5-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-1H-imidazole-2-carboxylate

Systemtic Name: heptyl 5-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-1H-imidazole-2-carboxylate Openeye Name: heptyl 5-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-1H-imidazole-2-carboxylate CAS Name: 5-[(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]-1H-imidazole-2-carboxylic acid heptyl ester IUPAC Name: heptyl 5-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-1H-imidazole-2-carboxylate Traditional Name: 5-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-1H-imidazole-2-carboxylic acid heptyl ester Formula: C25H38N2O2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=NC=C(N1)C=C(C)C=CC2=C(CCCC2(C)C)C

Isomeric SMILES

CCCCCCCOC(=O)C1=NC=C(N1)/C=C(\C)/C=C/C2=C(CCCC2(C)C)C

InChI

InChI=1S/C25H38N2O2/c1-6-7-8-9-10-16-29-24(28)23-26-18-21(27-23)17-19(2)13-14-22-20(3)12-11-15-25(22,4)5/h13-14,17-18H,6-12,15-16H2,1-5H3,(H,26,27)/b14-13+,19-17+