oxolan-2-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: oxolan-2-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: tetrahydrofuran-2-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid tetrahydrofurfuryl ester Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(OC1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrNO3/c22-15-9-7-14(8-10-15)20-12-18(17-5-1-2-6-19(17)23-20)21(24)26-13-16-4-3-11-25-16/h1-2,5-10,12,16H,3-4,11,13H2