[5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 2-bromanylbenzoate

Systemtic Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 2-bromanylbenzoate Openeye Name: [5-(pyrrolidin-1-ylmethyl)-8-quinolyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [5-(1-pyrrolidinylmethyl)-8-quinolinyl] ester IUPAC Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [5-(pyrrolidinomethyl)-8-quinolyl] ester Formula: C21H19BrN2O2 MolecularWeight: 411.29176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C3C=CC=NC3=C(C=C2)OC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CCN(C1)CC2=C3C=CC=NC3=C(C=C2)OC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C21H19BrN2O2/c22-18-8-2-1-6-17(18)21(25)26-19-10-9-15(14-24-12-3-4-13-24)16-7-5-11-23-20(16)19/h1-2,5-11H,3-4,12-14H2