5-(4-bromanylbutoxy)-2,3-dihydroindole-1-carboxylic acid

Systemtic Name: 5-(4-bromanylbutoxy)-2,3-dihydroindole-1-carboxylic acid Openeye Name: 5-(4-bromobutoxy)indoline-1-carboxylic acid CAS Name: 5-(4-bromobutoxy)-2,3-dihydroindole-1-carboxylic acid IUPAC Name: 5-(4-bromobutoxy)-2,3-dihydroindole-1-carboxylic acid Traditional Name: 5-(4-bromobutoxy)indoline-1-carboxylic acid Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)OCCCCBr)C(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)OCCCCBr)C(=O)O

InChI

InChI=1S/C13H16BrNO3/c14-6-1-2-8-18-11-3-4-12-10(9-11)5-7-15(12)13(16)17/h3-4,9H,1-2,5-8H2,(H,16,17)