[(1S)-2-oxidanylidenecyclohexyl] 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,5-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C24H24N2O5 MolecularWeight: 420.45776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)OC3CCCCC3=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)O[C@H]3CCCCC3=O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O5/c1-29-17-12-13-21(30-2)18(14-17)23-19(15-26(25-23)16-8-4-3-5-9-16)24(28)31-22-11-7-6-10-20(22)27/h3-5,8-9,12-15,22H,6-7,10-11H2,1-2H3/t22-/m0/s1