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

Systemtic Name: [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-tert-butylbenzoate Openeye Name: [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(2,3-dimethylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-propylpyrazol-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] ester Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=CC(=C3C)C

Isomeric SMILES

CCCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=CC(=C3C)C

InChI

InChI=1S/C25H30N2O2/c1-7-9-21-16-23(27(26-21)22-11-8-10-17(2)18(22)3)29-24(28)19-12-14-20(15-13-19)25(4,5)6/h8,10-16H,7,9H2,1-6H3