2-[2-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-2-oxidanylidene-ethoxy]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[2-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-2-oxidanylidene-ethoxy]pyrimidine-5-carboxylic acid Openeye Name: 2-[2-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-2-oxo-ethoxy]pyrimidine-5-carboxylic acid CAS Name: 2-[2-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-2-oxoethoxy]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]pyrimidine-5-carboxylic acid Traditional Name: 2-[2-[4-(4-bromophenyl)-4-hydroxy-piperidino]-2-keto-ethoxy]pyrimidine-5-carboxylic acid Formula: C18H18BrN3O5 MolecularWeight: 436.25662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)COC3=NC=C(C=N3)C(=O)O

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)COC3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C18H18BrN3O5/c19-14-3-1-13(2-4-14)18(26)5-7-22(8-6-18)15(23)11-27-17-20-9-12(10-21-17)16(24)25/h1-4,9-10,26H,5-8,11H2,(H,24,25)