[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C23H17BrN2O4 MolecularWeight: 465.29608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H17BrN2O4/c24-16-6-3-5-15(11-16)21-12-19(18-8-1-2-9-20(18)26-21)23(28)30-14-22(27)25-13-17-7-4-10-29-17/h1-12H,13-14H2,(H,25,27)