methyl 4-(1-heptylpyrazol-4-yl)benzoate

Systemtic Name: methyl 4-(1-heptylpyrazol-4-yl)benzoate Openeye Name: methyl 4-(1-heptylpyrazol-4-yl)benzoate CAS Name: 4-(1-heptyl-4-pyrazolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-heptylpyrazol-4-yl)benzoate Traditional Name: 4-(1-heptylpyrazol-4-yl)benzoic acid methyl ester Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=C(C=N1)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCCCN1C=C(C=N1)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H24N2O2/c1-3-4-5-6-7-12-20-14-17(13-19-20)15-8-10-16(11-9-15)18(21)22-2/h8-11,13-14H,3-7,12H2,1-2H3