ethyl 1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-benzyloxyphenyl)-1-cyclohexyl-pyrazole-3-carboxylate CAS Name: 1-cyclohexyl-5-(4-phenylmethoxyphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-benzoxyphenyl)-1-cyclohexyl-pyrazole-3-carboxylic acid ethyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C25H28N2O3/c1-2-29-25(28)23-17-24(27(26-23)21-11-7-4-8-12-21)20-13-15-22(16-14-20)30-18-19-9-5-3-6-10-19/h3,5-6,9-10,13-17,21H,2,4,7-8,11-12,18H2,1H3