2-(5-bromanylpyridin-2-yl)-3-cyclohexyl-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)indole-6-carboxylic acid

Systemtic Name: 2-(5-bromanylpyridin-2-yl)-3-cyclohexyl-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)indole-6-carboxylic acid Openeye Name: 2-(5-bromo-2-pyridyl)-3-cyclohexyl-1-(2-hydroxy-1-methyl-2-oxo-ethyl)indole-6-carboxylic acid CAS Name: 2-(5-bromo-2-pyridinyl)-3-cyclohexyl-1-(1-hydroxy-1-oxopropan-2-yl)-6-indolecarboxylic acid IUPAC Name: 2-(5-bromopyridin-2-yl)-3-cyclohexyl-1-(1-hydroxy-1-oxopropan-2-yl)indole-6-carboxylic acid Traditional Name: 2-(5-bromo-2-pyridyl)-3-cyclohexyl-1-(2-hydroxy-2-keto-1-methyl-ethyl)indole-6-carboxylic acid Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=NC=C(C=C3)Br)C4CCCCC4

Isomeric SMILES

CC(C(=O)O)N1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=NC=C(C=C3)Br)C4CCCCC4

InChI

InChI=1S/C23H23BrN2O4/c1-13(22(27)28)26-19-11-15(23(29)30)7-9-17(19)20(14-5-3-2-4-6-14)21(26)18-10-8-16(24)12-25-18/h7-14H,2-6H2,1H3,(H,27,28)(H,29,30)