ethyl 2-methyl-5-(octadecylcarbamoyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-(octadecylcarbamoyl)pyrazole-3-carboxylate Openeye Name: ethyl 2-methyl-5-(octadecylcarbamoyl)pyrazole-3-carboxylate CAS Name: 2-methyl-5-[(octadecylamino)-oxomethyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(octadecylcarbamoyl)pyrazole-3-carboxylate Traditional Name: 2-methyl-5-(stearylcarbamoyl)pyrazole-3-carboxylic acid ethyl ester Formula: C26H47N3O3 MolecularWeight: 449.66968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN(C(=C1)C(=O)OCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN(C(=C1)C(=O)OCC)C

InChI

InChI=1S/C26H47N3O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-25(30)23-22-24(29(3)28-23)26(31)32-5-2/h22H,4-21H2,1-3H3,(H,27,30)