[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] heptanoate

Systemtic Name: [5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] heptanoate Openeye Name: [5-tert-butyl-2-(m-tolyl)pyrazol-3-yl] heptanoate CAS Name: heptanoic acid [5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] heptanoate Traditional Name: enanthic acid [5-tert-butyl-2-(m-tolyl)pyrazol-3-yl] ester Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC(=NN1C2=CC=CC(=C2)C)C(C)(C)C

Isomeric SMILES

CCCCCCC(=O)OC1=CC(=NN1C2=CC=CC(=C2)C)C(C)(C)C

InChI

InChI=1S/C21H30N2O2/c1-6-7-8-9-13-20(24)25-19-15-18(21(3,4)5)22-23(19)17-12-10-11-16(2)14-17/h10-12,14-15H,6-9,13H2,1-5H3