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

Systemtic Name: [5-(methoxymethyl)-2-phenyl-pyrazol-3-yl] 4-butylbenzoate Openeye Name: [5-(methoxymethyl)-2-phenyl-pyrazol-3-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [5-(methoxymethyl)-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-(methoxymethyl)-2-phenylpyrazol-3-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [5-(methoxymethyl)-2-phenyl-pyrazol-3-yl] ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)COC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)COC

InChI

InChI=1S/C22H24N2O3/c1-3-4-8-17-11-13-18(14-12-17)22(25)27-21-15-19(16-26-2)23-24(21)20-9-6-5-7-10-20/h5-7,9-15H,3-4,8,16H2,1-2H3