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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C#N

InChI

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