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

Systemtic Name: 1-(1-azanyl-1-oxidanylidene-propan-2-yl)-2-(5-bromanylpyridin-2-yl)-3-cyclohexyl-indole-6-carboxylic acid Openeye Name: 1-(2-amino-1-methyl-2-oxo-ethyl)-2-(5-bromo-2-pyridyl)-3-cyclohexyl-indole-6-carboxylic acid CAS Name: 1-(1-amino-1-oxopropan-2-yl)-2-(5-bromo-2-pyridinyl)-3-cyclohexyl-6-indolecarboxylic acid IUPAC Name: 1-(1-amino-1-oxopropan-2-yl)-2-(5-bromopyridin-2-yl)-3-cyclohexylindole-6-carboxylic acid Traditional Name: 1-(2-amino-2-keto-1-methyl-ethyl)-2-(5-bromo-2-pyridyl)-3-cyclohexyl-indole-6-carboxylic acid Formula: C23H24BrN3O3 MolecularWeight: 470.35896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN3O3/c1-13(22(25)28)27-19-11-15(23(29)30)7-9-17(19)20(14-5-3-2-4-6-14)21(27)18-10-8-16(24)12-26-18/h7-14H,2-6H2,1H3,(H2,25,28)(H,29,30)