methyl 3,5-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrazole-1-carboxylate

Systemtic Name: methyl 3,5-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrazole-1-carboxylate Openeye Name: methyl 3,5-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)vinyl]pyrazole-1-carboxylate CAS Name: 3,5-bis[(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)ethenyl]-1-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3,5-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrazole-1-carboxylate Traditional Name: 3,5-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)vinyl]pyrazole-1-carboxylic acid methyl ester Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC2=CC(=NN2C(=O)OC)C=CC3=C(CCCC3(C)C)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C2=CC(=NN2C(=O)OC)/C=C/C3=C(CCCC3(C)C)C

InChI

InChI=1S/C27H38N2O2/c1-19-10-8-16-26(3,4)23(19)14-12-21-18-22(29(28-21)25(30)31-7)13-15-24-20(2)11-9-17-27(24,5)6/h12-15,18H,8-11,16-17H2,1-7H3/b14-12+,15-13+