[5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 4-iodanylbenzoate

Systemtic Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 4-iodanylbenzoate Openeye Name: [5-(pyrrolidin-1-ylmethyl)-8-quinolyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [5-(1-pyrrolidinylmethyl)-8-quinolinyl] ester IUPAC Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [5-(pyrrolidinomethyl)-8-quinolyl] ester Formula: C21H19IN2O2 MolecularWeight: 458.29223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19IN2O2/c22-17-8-5-15(6-9-17)21(25)26-19-10-7-16(14-24-12-1-2-13-24)18-4-3-11-23-20(18)19/h3-11H,1-2,12-14H2