(4-cyanophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid (4-cyanobenzyl) ester Formula: C24H15BrN2O2 MolecularWeight: 443.2921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H15BrN2O2/c25-19-5-3-4-18(12-19)23-13-21(20-6-1-2-7-22(20)27-23)24(28)29-15-17-10-8-16(14-26)9-11-17/h1-13H,15H2