cyanomethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: cyanomethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: cyanomethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid cyanomethyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5/c1-25-18-10-13(11-19(26-2)20(18)27-3)17-12-15(21(24)28-9-8-22)14-6-4-5-7-16(14)23-17/h4-7,10-12H,9H2,1-3H3