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

Systemtic Name: [5-(methoxymethyl)-2-phenyl-pyrazol-3-yl] 4-pentylbenzoate Openeye Name: [5-(methoxymethyl)-2-phenyl-pyrazol-3-yl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [5-(methoxymethyl)-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-(methoxymethyl)-2-phenylpyrazol-3-yl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [5-(methoxymethyl)-2-phenyl-pyrazol-3-yl] ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)COC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)COC

InChI

InChI=1S/C23H26N2O3/c1-3-4-6-9-18-12-14-19(15-13-18)23(26)28-22-16-20(17-27-2)24-25(22)21-10-7-5-8-11-21/h5,7-8,10-16H,3-4,6,9,17H2,1-2H3