(3-cyanophenyl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (3-cyanophenyl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid (3-cyanobenzyl) ester Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H22N2O5/c1-31-24-12-19(13-25(32-2)26(24)33-3)23-14-21(20-9-4-5-10-22(20)29-23)27(30)34-16-18-8-6-7-17(11-18)15-28/h4-14H,16H2,1-3H3