1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C27H42N2O3 MolecularWeight: 442.63398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)CCCC(C)(C)OC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)CCCC(C)(C)OC)C(=O)O

InChI

InChI=1S/C27H42N2O3/c1-9-11-23-24(25(30)31)22(18-19(2)12-10-17-27(6,7)32-8)28-29(23)21-15-13-20(14-16-21)26(3,4)5/h13-16,19H,9-12,17-18H2,1-8H3,(H,30,31)