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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-methyl-pyrazole-4-carboxylic acid Formula: C25H38N2O3 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)CCCC(C)(C)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)CCCC(C)(C)OC)C(=O)O

InChI

InChI=1S/C25H38N2O3/c1-17(10-9-15-25(6,7)30-8)16-21-22(23(28)29)18(2)27(26-21)20-13-11-19(12-14-20)24(3,4)5/h11-14,17H,9-10,15-16H2,1-8H3,(H,28,29)