methyl 3-(4-hexyl-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)propanoate

Systemtic Name: methyl 3-(4-hexyl-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)propanoate Openeye Name: methyl 3-(4-hexyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)propanoate CAS Name: 3-(4-hexyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-hexyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)propanoate Traditional Name: 3-(4-hexyl-5-keto-1-phenyl-2-pyrazolin-3-yl)propionic acid methyl ester Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(=NN(C1=O)C2=CC=CC=C2)CCC(=O)OC

Isomeric SMILES

CCCCCCC1C(=NN(C1=O)C2=CC=CC=C2)CCC(=O)OC

InChI

InChI=1S/C19H26N2O3/c1-3-4-5-9-12-16-17(13-14-18(22)24-2)20-21(19(16)23)15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14H2,1-2H3