[(1R)-2-oxidanylidenecyclohexyl] 3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [(1R)-2-oxidanylidenecyclohexyl] 3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(1R)-2-oxocyclohexyl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(1R)-2-oxocyclohexyl] ester IUPAC Name: [(1R)-2-oxocyclohexyl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid [(1R)-2-ketocyclohexyl] ester Formula: C24H24N2O4 MolecularWeight: 404.45836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)OC3CCCCC3=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)O[C@@H]3CCCCC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O4/c1-29-21-13-7-5-11-18(21)23-19(24(28)30-22-14-8-6-12-20(22)27)16-26(25-23)15-17-9-3-2-4-10-17/h2-5,7,9-11,13,16,22H,6,8,12,14-15H2,1H3/t22-/m1/s1