4-[[3-(6-bromanylindol-1-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[3-(6-bromanylindol-1-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-(6-bromoindol-1-yl)propanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[3-(6-bromo-1-indolyl)-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-(6-bromoindol-1-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[3-(6-bromoindol-1-yl)propanoylamino]methyl]cyclohexanecarboxylic acid Formula: C19H23BrN2O3 MolecularWeight: 407.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CCN2C=CC3=C2C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)CCN2C=CC3=C2C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H23BrN2O3/c20-16-6-5-14-7-9-22(17(14)11-16)10-8-18(23)21-12-13-1-3-15(4-2-13)19(24)25/h5-7,9,11,13,15H,1-4,8,10,12H2,(H,21,23)(H,24,25)