[2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 2-methylbenzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 2-methylbenzoate Openeye Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-(2,4-dimethylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-propylpyrazol-3-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] ester Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OC(=O)C2=CC=CC=C2C)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCC1=NN(C(=C1)OC(=O)C2=CC=CC=C2C)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C22H24N2O2/c1-5-8-18-14-21(26-22(25)19-10-7-6-9-16(19)3)24(23-18)20-12-11-15(2)13-17(20)4/h6-7,9-14H,5,8H2,1-4H3