ethyl 4-(3-bromanylpyridin-4-yl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-(3-bromanylpyridin-4-yl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: ethyl 4-(3-bromo-4-pyridyl)-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-(3-bromo-4-pyridinyl)-4-hydroxy-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromopyridin-4-yl)-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-(3-bromo-4-pyridyl)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)(C2=C(C=NC=C2)Br)O

Isomeric SMILES

CCOC(=O)C1CCC(CC1)(C2=C(C=NC=C2)Br)O

InChI

InChI=1S/C14H18BrNO3/c1-2-19-13(17)10-3-6-14(18,7-4-10)11-5-8-16-9-12(11)15/h5,8-10,18H,2-4,6-7H2,1H3