[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-pentylbenzoate

Systemtic Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-pentylbenzoate Openeye Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [2-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methoxyphenyl)-5-phenylpyrazol-3-yl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3/c1-3-4-6-9-21-12-14-23(15-13-21)28(31)33-27-20-26(22-10-7-5-8-11-22)29-30(27)24-16-18-25(32-2)19-17-24/h5,7-8,10-20H,3-4,6,9H2,1-2H3