5-bromanyl-3-phenylmethoxy-1-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 5-bromanyl-3-phenylmethoxy-1-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 3-benzyloxy-5-bromo-1-isopropyl-pyrazole-4-carboxylic acid CAS Name: 5-bromo-3-phenylmethoxy-1-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 5-bromo-3-phenylmethoxy-1-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 3-benzoxy-5-bromo-1-isopropyl-pyrazole-4-carboxylic acid Formula: C14H15BrN2O3 MolecularWeight: 339.1845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=N1)OCC2=CC=CC=C2)C(=O)O)Br

Isomeric SMILES

CC(C)N1C(=C(C(=N1)OCC2=CC=CC=C2)C(=O)O)Br

InChI

InChI=1S/C14H15BrN2O3/c1-9(2)17-12(15)11(14(18)19)13(16-17)20-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,19)