(4-iodophenyl)methyl 2-(3,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: (4-iodophenyl)methyl 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: (4-iodophenyl)methyl 2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid (4-iodophenyl)methyl ester IUPAC Name: (4-iodophenyl)methyl 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethylphenyl)cinchoninic acid (4-iodobenzyl) ester Formula: C25H20INO2 MolecularWeight: 493.33627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=C(C=C4)I)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=C(C=C4)I)C

InChI

InChI=1S/C25H20INO2/c1-16-7-10-19(13-17(16)2)24-14-22(21-5-3-4-6-23(21)27-24)25(28)29-15-18-8-11-20(26)12-9-18/h3-14H,15H2,1-2H3