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

Systemtic Name: 3-cyanopropyl 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: 3-cyanopropyl 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-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(=CC=C3)Br)C(=O)OCCCC#N

Isomeric SMILES

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

InChI

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