2-(4-bromanylbutyl)-5-chloranyl-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 2-(4-bromanylbutyl)-5-chloranyl-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 2-(4-bromobutyl)-5-chloro-3-phenyl-isoindole-1-carboxylic acid CAS Name: 2-(4-bromobutyl)-5-chloro-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 2-(4-bromobutyl)-5-chloro-3-phenylisoindole-1-carboxylic acid Traditional Name: 2-(4-bromobutyl)-5-chloro-3-phenyl-isoindole-1-carboxylic acid Formula: C19H17BrClNO2 MolecularWeight: 406.70078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C(N2CCCCBr)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C(N2CCCCBr)C(=O)O)Cl

InChI

InChI=1S/C19H17BrClNO2/c20-10-4-5-11-22-17(13-6-2-1-3-7-13)16-12-14(21)8-9-15(16)18(22)19(23)24/h1-3,6-9,12H,4-5,10-11H2,(H,23,24)