2-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-1-ethyl-6-oxidanylidene-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-1-ethyl-6-oxidanylidene-pyrimidine-5-carboxylic acid Openeye Name: 2-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]-1-ethyl-6-oxo-pyrimidine-5-carboxylic acid CAS Name: 2-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-ethyl-6-oxo-5-pyrimidinecarboxylic acid IUPAC Name: 2-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-ethyl-6-oxopyrimidine-5-carboxylic acid Traditional Name: 2-[2-(2-benzoxy-5-bromo-phenyl)ethyl]-1-ethyl-6-keto-pyrimidine-5-carboxylic acid Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC=C(C1=O)C(=O)O)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NC=C(C1=O)C(=O)O)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21BrN2O4/c1-2-25-20(24-13-18(21(25)26)22(27)28)11-8-16-12-17(23)9-10-19(16)29-14-15-6-4-3-5-7-15/h3-7,9-10,12-13H,2,8,11,14H2,1H3,(H,27,28)