2-(cyclohexylmethyl)-4-methyl-5-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-(cyclohexylmethyl)-4-methyl-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 2-(cyclohexylmethyl)-4-methyl-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 2-(cyclohexylmethyl)-4-methyl-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 2-(cyclohexylmethyl)-4-methyl-5-phenylpyrazole-3-carboxylic acid Traditional Name: 2-(cyclohexylmethyl)-4-methyl-5-phenyl-pyrazole-3-carboxylic acid Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C2=CC=CC=C2)CC3CCCCC3)C(=O)O

Isomeric SMILES

CC1=C(N(N=C1C2=CC=CC=C2)CC3CCCCC3)C(=O)O

InChI

InChI=1S/C18H22N2O2/c1-13-16(15-10-6-3-7-11-15)19-20(17(13)18(21)22)12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12H2,1H3,(H,21,22)