2-(5-bromanyl-3,3-dimethyl-pentyl)-5-chloranyl-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 2-(5-bromanyl-3,3-dimethyl-pentyl)-5-chloranyl-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 2-(5-bromo-3,3-dimethyl-pentyl)-5-chloro-3-phenyl-isoindole-1-carboxylic acid CAS Name: 2-(5-bromo-3,3-dimethylpentyl)-5-chloro-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 2-(5-bromo-3,3-dimethylpentyl)-5-chloro-3-phenylisoindole-1-carboxylic acid Traditional Name: 2-(5-bromo-3,3-dimethyl-pentyl)-5-chloro-3-phenyl-isoindole-1-carboxylic acid Formula: C22H23BrClNO2 MolecularWeight: 448.78052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3)CCBr

Isomeric SMILES

CC(C)(CCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3)CCBr

InChI

InChI=1S/C22H23BrClNO2/c1-22(2,10-12-23)11-13-25-19(15-6-4-3-5-7-15)18-14-16(24)8-9-17(18)20(25)21(26)27/h3-9,14H,10-13H2,1-2H3,(H,26,27)