methyl 4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]benzoate

Systemtic Name: methyl 4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]benzoate Openeye Name: methyl 4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]benzoate CAS Name: 4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]benzoate Traditional Name: 4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]benzoic acid methyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H26N2O3/c1-3-4-5-6-15-28-20-13-11-18(12-14-20)22-16-21(24-25-22)17-7-9-19(10-8-17)23(26)27-2/h7-14,16H,3-6,15H2,1-2H3,(H,24,25)