3-bromanyl-4-(pyrrolidin-1-ylmethyl)benzoic acid

Systemtic Name: 3-bromanyl-4-(pyrrolidin-1-ylmethyl)benzoic acid Openeye Name: 3-bromo-4-(pyrrolidin-1-ylmethyl)benzoic acid CAS Name: 3-bromo-4-(1-pyrrolidinylmethyl)benzoic acid IUPAC Name: 3-bromo-4-(pyrrolidin-1-ylmethyl)benzoic acid Traditional Name: 3-bromo-4-(pyrrolidinomethyl)benzoic acid Formula: C12H14BrNO2 MolecularWeight: 284.14906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

C1CCN(C1)CC2=C(C=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C12H14BrNO2/c13-11-7-9(12(15)16)3-4-10(11)8-14-5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,15,16)