(4-pyrazol-1-ylphenyl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C22H24N2O5/c1-26-19-13-17(14-20(27-2)22(19)28-3)7-10-21(25)29-15-16-5-8-18(9-6-16)24-12-4-11-23-24/h4-6,8-9,11-14H,7,10,15H2,1-3H3