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

Systemtic Name: 1-(4-cyanophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-isopropyl-3-(6-methoxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-isopropyl-3-(6-methoxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O3/c1-16(2)22-21(23(28)29)20(14-17(3)8-7-13-24(4,5)30-6)26-27(22)19-11-9-18(15-25)10-12-19/h9-12,16-17H,7-8,13-14H2,1-6H3,(H,28,29)