ethyl 4-(2-methyl-5-oxidanylidene-3-pentadecyl-pyrazol-1-yl)benzoate

Systemtic Name: ethyl 4-(2-methyl-5-oxidanylidene-3-pentadecyl-pyrazol-1-yl)benzoate Openeye Name: ethyl 4-(2-methyl-5-oxo-3-pentadecyl-pyrazol-1-yl)benzoate CAS Name: 4-(2-methyl-5-oxo-3-pentadecyl-1-pyrazolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-methyl-5-oxo-3-pentadecylpyrazol-1-yl)benzoate Traditional Name: 4-(5-keto-2-methyl-3-pentadecyl-3-pyrazolin-1-yl)benzoic acid ethyl ester Formula: C28H44N2O3 MolecularWeight: 456.66056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=O)N(N1C)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=O)N(N1C)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C28H44N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-26-23-27(31)30(29(26)3)25-21-19-24(20-22-25)28(32)33-5-2/h19-23H,4-18H2,1-3H3