(4-pyrazol-1-ylphenyl)methyl 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H17BrN2O4 MolecularWeight: 417.25328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H17BrN2O4/c1-24-16-10-14(11-17(25-2)18(16)20)19(23)26-12-13-4-6-15(7-5-13)22-9-3-8-21-22/h3-11H,12H2,1-2H3