(4-pyrazol-1-ylphenyl)methyl 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3)Br)OC

InChI

InChI=1S/C20H19BrN2O4/c1-25-18-10-15(17(21)12-19(18)26-2)11-20(24)27-13-14-4-6-16(7-5-14)23-9-3-8-22-23/h3-10,12H,11,13H2,1-2H3