3-cyclohexyl-1-(phenylmethyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-3-cyclohexyl-pyrazole-4-carboxylic acid CAS Name: 3-cyclohexyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-3-cyclohexylpyrazole-4-carboxylic acid Traditional Name: 1-benzyl-3-cyclohexyl-pyrazole-4-carboxylic acid Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C=C2C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C2=NN(C=C2C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N2O2/c20-17(21)15-12-19(11-13-7-3-1-4-8-13)18-16(15)14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,20,21)