(2-cyanophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (2-cyanophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid (2-cyanobenzyl) ester Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=CC=C4C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=CC=C4C#N)OC

InChI

InChI=1S/C26H20N2O4/c1-30-24-12-11-17(13-25(24)31-2)23-14-21(20-9-5-6-10-22(20)28-23)26(29)32-16-19-8-4-3-7-18(19)15-27/h3-14H,16H2,1-2H3