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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)CCCC(C)(C)OC)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)CCCC(C)(C)OC)C(=O)O

InChI

InChI=1S/C27H42N2O3/c1-18(2)24-23(25(30)31)22(17-19(3)11-10-16-27(7,8)32-9)28-29(24)21-14-12-20(13-15-21)26(4,5)6/h12-15,18-19H,10-11,16-17H2,1-9H3,(H,30,31)