3-cyanopropyl 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: 3-cyanopropyl 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: 3-cyanopropyl 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid 3-cyanopropyl ester Formula: C20H15BrN2O2 MolecularWeight: 395.2493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCCCC#N

InChI

InChI=1S/C20H15BrN2O2/c21-15-9-7-14(8-10-15)19-13-17(20(24)25-12-4-3-11-22)16-5-1-2-6-18(16)23-19/h1-2,5-10,13H,3-4,12H2