(4-bromophenyl)methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: (4-bromophenyl)methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: (4-bromophenyl)methyl 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid (4-bromobenzyl) ester Formula: C22H16BrNO3 MolecularWeight: 422.27134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrNO3/c1-14-6-11-21(27-14)20-12-18(17-4-2-3-5-19(17)24-20)22(25)26-13-15-7-9-16(23)10-8-15/h2-12H,13H2,1H3