1-(4-cyanophenyl)-5-ethyl-3-(6-methoxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-5-ethyl-3-(6-methoxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-ethyl-3-(6-methoxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-ethyl-3-(6-methoxy-2,6-dimethylheptyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-5-ethyl-3-(6-methoxy-2,6-dimethylheptyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-ethyl-3-(6-methoxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid Formula: C23H31N3O3 MolecularWeight: 397.51054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)CCCC(C)(C)OC)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)CCCC(C)(C)OC)C(=O)O

InChI

InChI=1S/C23H31N3O3/c1-6-20-21(22(27)28)19(14-16(2)8-7-13-23(3,4)29-5)25-26(20)18-11-9-17(15-24)10-12-18/h9-12,16H,6-8,13-14H2,1-5H3,(H,27,28)