(2-chloranyl-6-fluoranyl-phenyl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid (2-chloro-6-fluoro-benzyl) ester Formula: C26H21ClFNO5 MolecularWeight: 481.900043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C26H21ClFNO5/c1-31-23-11-15(12-24(32-2)25(23)33-3)22-13-17(16-7-4-5-10-21(16)29-22)26(30)34-14-18-19(27)8-6-9-20(18)28/h4-13H,14H2,1-3H3