(4-oxidanylcyclohexyl) 5-phenethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (4-oxidanylcyclohexyl) 5-phenethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4-hydroxycyclohexyl) 5-phenethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-phenethyl-1-phenyl-4-pyrazolecarboxylic acid (4-hydroxycyclohexyl) ester IUPAC Name: (4-hydroxycyclohexyl) 5-phenethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-phenethyl-1-phenyl-pyrazole-4-carboxylic acid (4-hydroxycyclohexyl) ester Formula: C24H26N2O3 MolecularWeight: 390.47484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1O)OC(=O)C2=C(N(N=C2)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1O)OC(=O)C2=C(N(N=C2)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3/c27-20-12-14-21(15-13-20)29-24(28)22-17-25-26(19-9-5-2-6-10-19)23(22)16-11-18-7-3-1-4-8-18/h1-10,17,20-21,27H,11-16H2